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ZINC ID                   RADAR Physiochemical Propperties Lipophilicity Water solubility Phyarmacokinetics Druglikeness Medicinal Chemistry
96896497

Cc1[nH]nc(c1)c1scc(n1)C[C@@H]1CCC[NH2+]1		 Formula:C12H17N4S
Mol: 249.36
Heavy atoms:17
Aromatic heavy atoms: 10
Fraction Csp3: 0.50
Rotatable bonds: 3
H-bond acceptors: 2
H-bond donors: 2
MR: 74.42
TPSA: 86.42
ILOGP:2.27
XLOGP3: 1.76
WLOGP: 0.73
MLOGP: -2.77
Silicos ITLogP: 3.98
Consensus LogP: 1.19
 ESOL
LogS:-2.73
Solubility(mg/ml): 0.462000
Solubility(mol/l):0.001850
Class:Soluble

Ali
LogS:-3.19
Solubility(mg/ml): 0.160000
Solubility(mol/l): 0.000642
Class:Soluble

SilicosIT
LogS:-4.38
Solubility(mg/ml): 0.010500
Solubility(mol/l): 0.000042
Class:Moderately soluble
GIAbsorption:High
BBB permeant: No
Pgp substrate: Yes
CYP1A2 inhibitor: No
CYP2C19:  No
CYP2C9:  No
CYP2D6:  No
CYP3A4:  No
Log kp:  -6.57
Lipinski:0
Ghose: 0
Veber: 0
Egan: 0
Muegge: 0
Bioavalability Score0.55
PAINS:0
Brenk: 0
Leadlikeness: 1
Synthetic Accessibility: 3.42