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ZINC ID                   RADAR Physiochemical Propperties Lipophilicity Water solubility Phyarmacokinetics Druglikeness Medicinal Chemistry
96403146

O=C(C12CC3CC(C2)CC(C1)C3)Nc1ncn[nH]1		 Formula:C13H18N4O
Mol: 246.31
Heavy atoms:18
Aromatic heavy atoms: 5
Fraction Csp3: 0.77
Rotatable bonds: 3
H-bond acceptors: 3
H-bond donors: 2
MR: 67.36
TPSA: 70.67
ILOGP:1.27
XLOGP3: 2.08
WLOGP: 1.77
MLOGP: 1.71
Silicos ITLogP: 1.68
Consensus LogP: 1.70
 ESOL
LogS:-2.69
Solubility(mg/ml): 0.509000
Solubility(mol/l):0.002070
Class:Soluble

Ali
LogS:-3.19
Solubility(mg/ml): 0.158000
Solubility(mol/l): 0.000640
Class:Soluble

SilicosIT
LogS:-2.94
Solubility(mg/ml): 0.286000
Solubility(mol/l): 0.001160
Class:Soluble
GIAbsorption:High
BBB permeant: Yes
Pgp substrate: Yes
CYP1A2 inhibitor: No
CYP2C19:  No
CYP2C9:  No
CYP2D6:  Yes
CYP3A4:  No
Log kp:  -6.33
Lipinski:0
Ghose: 0
Veber: 0
Egan: 0
Muegge: 0
Bioavalability Score0.55
PAINS:0
Brenk: 0
Leadlikeness: 1
Synthetic Accessibility: 4.51