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ZINC ID                   RADAR Physiochemical Propperties Lipophilicity Water solubility Phyarmacokinetics Druglikeness Medicinal Chemistry
83371334

Nc1[nH+]cccc1CNc1ccc2c(c1)OCO2		 Formula:C13H14N3O2
Mol: 244.27
Heavy atoms:18
Aromatic heavy atoms: 12
Fraction Csp3: 0.15
Rotatable bonds: 3
H-bond acceptors: 2
H-bond donors: 3
MR: 69.39
TPSA: 70.65
ILOGP:2.05
XLOGP3: 1.80
WLOGP: 1.09
MLOGP: 1.08
Silicos ITLogP: 1.71
Consensus LogP: 1.55
 ESOL
LogS:-2.78
Solubility(mg/ml): 0.402000
Solubility(mol/l):0.001650
Class:Soluble

Ali
LogS:-2.90
Solubility(mg/ml): 0.306000
Solubility(mol/l): 0.001250
Class:Soluble

SilicosIT
LogS:-4.40
Solubility(mg/ml): 0.009750
Solubility(mol/l): 0.000040
Class:Moderately soluble
GIAbsorption:High
BBB permeant: No
Pgp substrate: Yes
CYP1A2 inhibitor: Yes
CYP2C19:  No
CYP2C9:  No
CYP2D6:  Yes
CYP3A4:  Yes
Log kp:  -6.51
Lipinski:0
Ghose: 0
Veber: 0
Egan: 0
Muegge: 0
Bioavalability Score0.55
PAINS:1
Brenk: 0
Leadlikeness: 1
Synthetic Accessibility: 2.42