Go Back
ZINC ID                   RADAR Physiochemical Propperties Lipophilicity Water solubility Phyarmacokinetics Druglikeness Medicinal Chemistry
19931049

N[C@H](c1nc2c(n1C)cccc2)c1cnccn1		 Formula:C13H13N5
Mol: 239.28
Heavy atoms:18
Aromatic heavy atoms: 15
Fraction Csp3: 0.15
Rotatable bonds: 2
H-bond acceptors: 4
H-bond donors: 1
MR: 68.75
TPSA: 69.62
ILOGP:1.56
XLOGP3: -0.08
WLOGP: 1.09
MLOGP: -0.02
Silicos ITLogP: 1.21
Consensus LogP: 0.75
 ESOL
LogS:-1.76
Solubility(mg/ml): 4.180000
Solubility(mol/l):0.017500
Class:Very soluble

Ali
LogS:-0.93
Solubility(mg/ml): 9.999999
Solubility(mol/l): 0.117000
Class:Very soluble

SilicosIT
LogS:-3.94
Solubility(mg/ml): 0.027400
Solubility(mol/l): 0.000115
Class:Soluble
GIAbsorption:High
BBB permeant: No
Pgp substrate: Yes
CYP1A2 inhibitor: No
CYP2C19:  No
CYP2C9:  No
CYP2D6:  Yes
CYP3A4:  Yes
Log kp:  -7.82
Lipinski:0
Ghose: 0
Veber: 0
Egan: 0
Muegge: 0
Bioavalability Score0.55
PAINS:0
Brenk: 0
Leadlikeness: 1
Synthetic Accessibility: 2.75