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ZINC ID                   RADAR Physiochemical Propperties Lipophilicity Water solubility Phyarmacokinetics Druglikeness Medicinal Chemistry
97376633

O=C(Nc1n[nH]c(n1)C1CCC1)C[C@H]1CCC=C1		 Formula:C13H18N4O
Mol: 246.31
Heavy atoms:18
Aromatic heavy atoms: 5
Fraction Csp3: 0.62
Rotatable bonds: 5
H-bond acceptors: 3
H-bond donors: 2
MR: 69.42
TPSA: 70.67
ILOGP:1.59
XLOGP3: 2.04
WLOGP: 2.18
MLOGP: 2.03
Silicos ITLogP: 2.07
Consensus LogP: 1.98
 ESOL
LogS:-2.53
Solubility(mg/ml): 0.730000
Solubility(mol/l):0.002970
Class:Soluble

Ali
LogS:-3.15
Solubility(mg/ml): 0.174000
Solubility(mol/l): 0.000704
Class:Soluble

SilicosIT
LogS:-2.84
Solubility(mg/ml): 0.354000
Solubility(mol/l): 0.001440
Class:Soluble
GIAbsorption:High
BBB permeant: Yes
Pgp substrate: Yes
CYP1A2 inhibitor: No
CYP2C19:  No
CYP2C9:  No
CYP2D6:  No
CYP3A4:  No
Log kp:  -6.35
Lipinski:0
Ghose: 0
Veber: 0
Egan: 0
Muegge: 0
Bioavalability Score0.55
PAINS:0
Brenk: 1
Leadlikeness: 1
Synthetic Accessibility: 3.55