Go Back
ZINC ID                   RADAR Physiochemical Propperties Lipophilicity Water solubility Phyarmacokinetics Druglikeness Medicinal Chemistry
57846619

O=C(c1cc2c([nH]1)cccc2)Nc1[n-]ncn1
Formula:C11H8N5O
Mol: 226.21
Heavy atoms:17
Aromatic heavy atoms: 14
Fraction Csp3: 0.00
Rotatable bonds: 3
H-bond acceptors: 4
H-bond donors: 2
MR: 61.42
TPSA: 83.56
ILOGP:0.37
XLOGP3: 1.61
WLOGP: 0.98
MLOGP: 0.88
Silicos ITLogP: 1.64
Consensus LogP: 1.09
ESOL
LogS:-2.67
Solubility(mg/ml): 0.486000
Solubility(mol/l):0.002150
Class:Soluble

Ali
LogS:-2.98
Solubility(mg/ml): 0.239000
Solubility(mol/l): 0.001060
Class:Soluble

SilicosIT
LogS:-4.27
Solubility(mg/ml): 0.012000
Solubility(mol/l): 0.000053
Class:Moderately soluble
GIAbsorption:High
BBB permeant: No
Pgp substrate: No
CYP1A2 inhibitor: Yes
CYP2C19:  No
CYP2C9:  No
CYP2D6:  No
CYP3A4:  No
Log kp:  -6.54
Lipinski:0
Ghose: 0
Veber: 0
Egan: 0
Muegge: 0
Bioavalability Score0.56
PAINS:0
Brenk: 0
Leadlikeness: 1
Synthetic Accessibility: 1.85