Go Back
ZINC ID                   RADAR Physiochemical Propperties Lipophilicity Water solubility Phyarmacokinetics Druglikeness Medicinal Chemistry
23143278

O=C(Cc1ccccc1Cl)Nc1[n-]ncn1
Formula:C10H8ClN4O
Mol: 235.65
Heavy atoms:16
Aromatic heavy atoms: 11
Fraction Csp3: 0.10
Rotatable bonds: 4
H-bond acceptors: 4
H-bond donors: 1
MR: 59.16
TPSA: 67.77
ILOGP:0.89
XLOGP3: 1.72
WLOGP: 1.08
MLOGP: 1.58
Silicos ITLogP: 2.06
Consensus LogP: 1.46
ESOL
LogS:-2.63
Solubility(mg/ml): 0.553000
Solubility(mol/l):0.002350
Class:Soluble

Ali
LogS:-2.76
Solubility(mg/ml): 0.410000
Solubility(mol/l): 0.001740
Class:Soluble

SilicosIT
LogS:-4.41
Solubility(mg/ml): 0.009210
Solubility(mol/l): 0.000039
Class:Moderately soluble
GIAbsorption:High
BBB permeant: No
Pgp substrate: No
CYP1A2 inhibitor: Yes
CYP2C19:  No
CYP2C9:  No
CYP2D6:  No
CYP3A4:  No
Log kp:  -6.52
Lipinski:0
Ghose: 0
Veber: 0
Egan: 0
Muegge: 0
Bioavalability Score0.56
PAINS:0
Brenk: 0
Leadlikeness: 1
Synthetic Accessibility: 1.95