Go Back
ZINC ID                   RADAR Physiochemical Propperties Lipophilicity Water solubility Phyarmacokinetics Druglikeness Medicinal Chemistry
50478543

CC(NC(=O)C[S@@](=O)c1ccncc1N)C		 Formula:C10H15N3O2S
Mol: 241.31
Heavy atoms:16
Aromatic heavy atoms: 6
Fraction Csp3: 0.40
Rotatable bonds: 5
H-bond acceptors: 3
H-bond donors: 2
MR: 63.28
TPSA: 104.29
ILOGP:1.44
XLOGP3: 0.09
WLOGP: 1.17
MLOGP: -0.62
Silicos ITLogP: -0.15
Consensus LogP: 0.38
 ESOL
LogS:-1.34
Solubility(mg/ml): 9.999999
Solubility(mol/l):0.045700
Class:Very soluble

Ali
LogS:-1.83
Solubility(mg/ml): 3.530000
Solubility(mol/l): 0.014600
Class:Very soluble

SilicosIT
LogS:-2.92
Solubility(mg/ml): 0.291000
Solubility(mol/l): 0.001210
Class:Soluble
GIAbsorption:High
BBB permeant: No
Pgp substrate: No
CYP1A2 inhibitor: No
CYP2C19:  No
CYP2C9:  No
CYP2D6:  No
CYP3A4:  No
Log kp:  -7.71
Lipinski:0
Ghose: 0
Veber: 0
Egan: 0
Muegge: 0
Bioavalability Score0.55
PAINS:0
Brenk: 0
Leadlikeness: 1
Synthetic Accessibility: 2.85