Go Back
ZINC ID                   RADAR Physiochemical Propperties Lipophilicity Water solubility Phyarmacokinetics Druglikeness Medicinal Chemistry
76167457

[O-]n1ccnc1C[C@H]1COCC[NH2+]1		 Formula:C8H13N3O2
Mol: 183.21
Heavy atoms:13
Aromatic heavy atoms: 5
Fraction Csp3: 0.62
Rotatable bonds: 2
H-bond acceptors: 3
H-bond donors: 1
MR: 51.84
TPSA: 66.72
ILOGP:1.55
XLOGP3: -0.35
WLOGP: -1.65
MLOGP: -4.16
Silicos ITLogP: -0.03
Consensus LogP: -0.93
 ESOL
LogS:-0.91
Solubility(mg/ml): 9.999999
Solubility(mol/l):0.124000
Class:Very soluble

Ali
LogS:-0.59
Solubility(mg/ml): 9.999999
Solubility(mol/l): 0.258000
Class:Very soluble

SilicosIT
LogS:-0.91
Solubility(mg/ml): 9.999999
Solubility(mol/l): 0.123000
Class:Soluble
GIAbsorption:High
BBB permeant: No
Pgp substrate: No
CYP1A2 inhibitor: No
CYP2C19:  No
CYP2C9:  No
CYP2D6:  No
CYP3A4:  No
Log kp:  -7.67
Lipinski:0
Ghose: 1
Veber: 0
Egan: 0
Muegge: 1
Bioavalability Score0.55
PAINS:0
Brenk: 1
Leadlikeness: 1
Synthetic Accessibility: 3.02