Go Back
ZINC ID                   RADAR Physiochemical Propperties Lipophilicity Water solubility Phyarmacokinetics Druglikeness Medicinal Chemistry
75553601

O=C(c1ccnc2c1cccc2)Nc1n[nH]cn1
Formula:C12H9N5O
Mol: 239.23
Heavy atoms:18
Aromatic heavy atoms: 15
Fraction Csp3: 0.00
Rotatable bonds: 3
H-bond acceptors: 4
H-bond donors: 2
MR: 65.90
TPSA: 83.56
ILOGP:0.76
XLOGP3: 1.42
WLOGP: 1.41
MLOGP: 0.71
Silicos ITLogP: 1.55
Consensus LogP: 1.17
ESOL
LogS:-2.64
Solubility(mg/ml): 0.552000
Solubility(mol/l):0.002310
Class:Soluble

Ali
LogS:-2.78
Solubility(mg/ml): 0.397000
Solubility(mol/l): 0.001660
Class:Soluble

SilicosIT
LogS:-4.69
Solubility(mg/ml): 0.004880
Solubility(mol/l): 0.000020
Class:Moderately soluble
GIAbsorption:High
BBB permeant: No
Pgp substrate: No
CYP1A2 inhibitor: Yes
CYP2C19:  No
CYP2C9:  No
CYP2D6:  No
CYP3A4:  No
Log kp:  -6.75
Lipinski:0
Ghose: 0
Veber: 0
Egan: 0
Muegge: 0
Bioavalability Score0.55
PAINS:0
Brenk: 0
Leadlikeness: 1
Synthetic Accessibility: 1.83