Go Back
ZINC ID                   RADAR Physiochemical Propperties Lipophilicity Water solubility Phyarmacokinetics Druglikeness Medicinal Chemistry
19849865

O=C(Nc1[n-]ncn1)CSc1nncn1C
Formula:C7H8N7OS
Mol: 238.25
Heavy atoms:16
Aromatic heavy atoms: 10
Fraction Csp3: 0.29
Rotatable bonds: 5
H-bond acceptors: 6
H-bond donors: 1
MR: 55.75
TPSA: 123.78
ILOGP:-0.36
XLOGP3: -0.43
WLOGP: -0.90
MLOGP: -0.81
Silicos ITLogP: -0.41
Consensus LogP: -0.58
ESOL
LogS:-1.18
Solubility(mg/ml): 9.999999
Solubility(mol/l):0.066300
Class:Very soluble

Ali
LogS:-1.70
Solubility(mg/ml): 4.710000
Solubility(mol/l): 0.019800
Class:Very soluble

SilicosIT
LogS:-1.93
Solubility(mg/ml): 2.800000
Solubility(mol/l): 0.011700
Class:Soluble
GIAbsorption:High
BBB permeant: No
Pgp substrate: No
CYP1A2 inhibitor: No
CYP2C19:  No
CYP2C9:  No
CYP2D6:  No
CYP3A4:  No
Log kp:  -8.06
Lipinski:0
Ghose: 1
Veber: 0
Egan: 0
Muegge: 0
Bioavalability Score0.56
PAINS:0
Brenk: 0
Leadlikeness: 1
Synthetic Accessibility: 2.55