Go Back
ZINC ID                   RADAR Physiochemical Propperties Lipophilicity Water solubility Phyarmacokinetics Druglikeness Medicinal Chemistry
137613

O=C(Nc1noc(c1)C)Nc1cccc(c1)C		 Formula:C12H13N3O2
Mol: 231.25
Heavy atoms:17
Aromatic heavy atoms: 11
Fraction Csp3: 0.17
Rotatable bonds: 4
H-bond acceptors: 3
H-bond donors: 2
MR: 65.16
TPSA: 67.16
ILOGP:2.44
XLOGP3: 2.03
WLOGP: 2.55
MLOGP: 1.86
Silicos ITLogP: 1.64
Consensus LogP: 2.10
 ESOL
LogS:-2.77
Solubility(mg/ml): 0.395000
Solubility(mol/l):0.001710
Class:Soluble

Ali
LogS:-3.07
Solubility(mg/ml): 0.198000
Solubility(mol/l): 0.000855
Class:Soluble

SilicosIT
LogS:-4.59
Solubility(mg/ml): 0.005940
Solubility(mol/l): 0.000026
Class:Moderately soluble
GIAbsorption:High
BBB permeant: Yes
Pgp substrate: No
CYP1A2 inhibitor: Yes
CYP2C19:  No
CYP2C9:  No
CYP2D6:  No
CYP3A4:  No
Log kp:  -6.27
Lipinski:0
Ghose: 0
Veber: 0
Egan: 0
Muegge: 0
Bioavalability Score0.55
PAINS:0
Brenk: 0
Leadlikeness: 1
Synthetic Accessibility: 2.70