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CompoundATC codeDescriptionScoreRank

[1] Untitled

Original SMILES:
CCCCCCCCCCCCCC(=O)NC(CCCN)C(=O)NC(CC1=CNC=N1)C(N)=O

Prepared SMILES:
NCCCC(C(=O)NC(C(=O)N)Cc1nc[nH]c1)NC(=O)CCCCCCCCCCCCC

J01Antibacterials for systemic use0.125881
L01Antineoplastic agents0.1132842
S01Ophthalmologicals0.08320553
L01XOther antineoplastic agents0.07220094
N05Psycholeptics0.06438085
L01XXOther antineoplastic agents0.05315386
J01DOther beta-lactam antibacterials0.05090027
C01Cardiac therapy0.04013718
N06Psychoanaleptics0.04009079
N05AAntipsychotics0.036212910
C09Agents acting on the renin-angiotensin system0.036052411
R02Throat preparations0.033622212
R02AThroat preparations0.033622213
H01Pituitary and hypothalamic hormones and analogues0.03219814
C05Vasoprotectives0.031525315
C10Lipid modifying agents0.030962316
J05Antivirals for systemic use0.0306117
J05ADirect acting antivirals0.0306118
V04Diagnostic agents0.030399119
V04COther diagnostic agents0.030399120
N06AAntidepressants0.030082221
S01AAntiinfectives0.029810722
G02Other gynecologicals0.029561923
M01Antiinflammatory and antirheumatic products0.029263924
N02Analgesics0.028614325
M01AAntiinflammatory and antirheumatic products, non-steroids0.028429226
G03Sex hormones and modulators of the genital system0.028217427
A10Drugs used in diabetes0.028145728
A10BBlood glucose lowering drugs, excl. insulins0.027630929
V03All other therapeutic products0.027041530
V03AAll other therapeutic products0.027041531
N01Anesthetics0.026860232
J01CBeta-lactam antibacterials, penicillins0.026486833
R03Drugs for obstructive airway diseases0.025753634
B01Antithrombotic agents0.024723535
B01AAntithrombotic agents0.024723536
S01AAAntibiotics0.023410637
R06Antihistamines for systemic use0.023259538
R06AAntihistamines for systemic use0.023259539
R02AAAntiseptics0.022905840
G01Gynecological antiinfectives and antiseptics0.022744641
G01AAntiinfectives and antiseptics, excl. combinations with corticosteroids0.022744642
J01DCSecond-generation cephalosporins0.022619343
N05CHypnotics and sedatives0.02251344
P01Antiprotozoals0.022334645
H01CHypothalamic hormones0.021997746
A07Antidiarrheals, intestinal antiinflammatory\/antiinfective agents0.021506547
D06Antibiotics and chemotherapeutics for dermatological use0.021286748
A01Stomatological preparations0.021234949
A01AStomatological preparations0.021234950

Job Information

Job IDSubmitted datePrediction typeMethodNetworkMolecular fingerprintOther parameter(s)
16682021-07-23
18:35:49
Anatomical therapeutic chemical (ATC) codesSD-ATC ModelDrug-ATC association network (version 2020)Klekota-Roth (KR)k = 2, Top 50

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