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ZINC ID                   RADAR Physiochemical Propperties Lipophilicity Water solubility Phyarmacokinetics Druglikeness Medicinal Chemistry
72376489

C1CC[C@@H]([NH2+]1)c1cccc(n1)Nc1nccs1		 Formula:C12H15N4S
Mol: 247.34
Heavy atoms:17
Aromatic heavy atoms: 11
Fraction Csp3: 0.33
Rotatable bonds: 3
H-bond acceptors: 2
H-bond donors: 2
MR: 74.41
TPSA: 82.66
ILOGP:2.11
XLOGP3: 2.02
WLOGP: 0.97
MLOGP: -2.54
Silicos ITLogP: 2.81
Consensus LogP: 1.08
 ESOL
LogS:-2.93
Solubility(mg/ml): 0.293000
Solubility(mol/l):0.001180
Class:Soluble

Ali
LogS:-3.38
Solubility(mg/ml): 0.102000
Solubility(mol/l): 0.000414
Class:Soluble

SilicosIT
LogS:-4.43
Solubility(mg/ml): 0.009270
Solubility(mol/l): 0.000038
Class:Moderately soluble
GIAbsorption:High
BBB permeant: No
Pgp substrate: Yes
CYP1A2 inhibitor: No
CYP2C19:  No
CYP2C9:  No
CYP2D6:  No
CYP3A4:  No
Log kp:  -6.37
Lipinski:0
Ghose: 0
Veber: 0
Egan: 0
Muegge: 0
Bioavalability Score0.55
PAINS:0
Brenk: 0
Leadlikeness: 1
Synthetic Accessibility: 2.99