Go Back
ZINC ID                   RADAR Physiochemical Propperties Lipophilicity Water solubility Phyarmacokinetics Druglikeness Medicinal Chemistry
82379079

[O-]C(=O)[C@@H](Cc1nc2c([nH]1)cccn2)[NH3+]
Formula:C9H10N4O2
Mol: 206.20
Heavy atoms:15
Aromatic heavy atoms: 9
Fraction Csp3: 0.22
Rotatable bonds: 3
H-bond acceptors: 4
H-bond donors: 2
MR: 52.26
TPSA: 109.34
ILOGP:0.20
XLOGP3: -2.54
WLOGP: -2.14
MLOGP: -4.29
Silicos ITLogP: 0.49
Consensus LogP: -1.65
ESOL
LogS:0.24
Solubility(mg/ml): 9.999999
Solubility(mol/l):1.720000
Class:Highly soluble

Ali
LogS:0.79
Solubility(mg/ml): 9.999999
Solubility(mol/l): 6.140000
Class:Highly soluble

SilicosIT
LogS:-2.01
Solubility(mg/ml): 2.000000
Solubility(mol/l): 0.009710
Class:Soluble
GIAbsorption:Low
BBB permeant: No
Pgp substrate: No
CYP1A2 inhibitor: No
CYP2C19:  No
CYP2C9:  No
CYP2D6:  No
CYP3A4:  No
Log kp:  -9.36
Lipinski:0
Ghose: 1
Veber: 0
Egan: 0
Muegge: 1
Bioavalability Score0.55
PAINS:0
Brenk: 0
Leadlikeness: 1
Synthetic Accessibility: 2.39