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ZINC ID                   RADAR Physiochemical Propperties Lipophilicity Water solubility Phyarmacokinetics Druglikeness Medicinal Chemistry
96880829

COc1ccc(cc1[C@@H]1[NH2+]C[C@H]2[C@@H]1[C@H]2C(=O)[O-])C		 Formula:C14H17NO3
Mol: 247.29
Heavy atoms:18
Aromatic heavy atoms: 6
Fraction Csp3: 0.50
Rotatable bonds: 3
H-bond acceptors: 3
H-bond donors: 1
MR: 70.18
TPSA: 65.97
ILOGP:1.91
XLOGP3: -1.02
WLOGP: -1.47
MLOGP: -2.15
Silicos ITLogP: 1.75
Consensus LogP: -0.19
 ESOL
LogS:-0.78
Solubility(mg/ml): 9.999999
Solubility(mol/l):0.166000
Class:Very soluble

Ali
LogS:0.12
Solubility(mg/ml): 9.999999
Solubility(mol/l): 1.320000
Class:Highly soluble

SilicosIT
LogS:-2.80
Solubility(mg/ml): 0.390000
Solubility(mol/l): 0.001580
Class:Soluble
GIAbsorption:High
BBB permeant: No
Pgp substrate: No
CYP1A2 inhibitor: No
CYP2C19:  No
CYP2C9:  No
CYP2D6:  No
CYP3A4:  No
Log kp:  -8.53
Lipinski:0
Ghose: 1
Veber: 0
Egan: 0
Muegge: 0
Bioavalability Score0.55
PAINS:0
Brenk: 0
Leadlikeness: 1
Synthetic Accessibility: 2.99