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ZINC ID                   RADAR Physiochemical Propperties Lipophilicity Water solubility Phyarmacokinetics Druglikeness Medicinal Chemistry
77365777

[O-]C(=O)C[C@](c1ccc2c(c1)nc([nH]2)C)([NH3+])C		 Formula:C12H15N3O2
Mol: 233.27
Heavy atoms:17
Aromatic heavy atoms: 9
Fraction Csp3: 0.33
Rotatable bonds: 3
H-bond acceptors: 3
H-bond donors: 2
MR: 64.12
TPSA: 96.45
ILOGP:0.90
XLOGP3: -1.81
WLOGP: -0.64
MLOGP: -3.00
Silicos ITLogP: 1.70
Consensus LogP: -0.57
 ESOL
LogS:-0.34
Solubility(mg/ml): 9.999999
Solubility(mol/l):0.457000
Class:Very soluble

Ali
LogS:0.30
Solubility(mg/ml): 9.999999
Solubility(mol/l): 2.000000
Class:Highly soluble

SilicosIT
LogS:-3.16
Solubility(mg/ml): 0.161000
Solubility(mol/l): 0.000690
Class:Soluble
GIAbsorption:High
BBB permeant: No
Pgp substrate: No
CYP1A2 inhibitor: No
CYP2C19:  No
CYP2C9:  No
CYP2D6:  No
CYP3A4:  No
Log kp:  -9.01
Lipinski:0
Ghose: 1
Veber: 0
Egan: 0
Muegge: 0
Bioavalability Score0.55
PAINS:0
Brenk: 0
Leadlikeness: 1
Synthetic Accessibility: 2.22