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ZINC ID                   RADAR Physiochemical Propperties Lipophilicity Water solubility Phyarmacokinetics Druglikeness Medicinal Chemistry
83377469

CC[C@H]1[NH2+]C[C@H](N(C1)c1ccccc1C(=O)N)C		 Formula:C14H22N3O
Mol: 248.34
Heavy atoms:18
Aromatic heavy atoms: 6
Fraction Csp3: 0.50
Rotatable bonds: 3
H-bond acceptors: 1
H-bond donors: 2
MR: 81.28
TPSA: 62.94
ILOGP:2.03
XLOGP3: 1.66
WLOGP: -0.43
MLOGP: -2.28
Silicos ITLogP: 1.24
Consensus LogP: 0.44
 ESOL
LogS:-2.47
Solubility(mg/ml): 0.833000
Solubility(mol/l):0.003360
Class:Soluble

Ali
LogS:-2.60
Solubility(mg/ml): 0.630000
Solubility(mol/l): 0.002540
Class:Soluble

SilicosIT
LogS:-3.21
Solubility(mg/ml): 0.154000
Solubility(mol/l): 0.000619
Class:Soluble
GIAbsorption:High
BBB permeant: No
Pgp substrate: No
CYP1A2 inhibitor: Yes
CYP2C19:  No
CYP2C9:  No
CYP2D6:  No
CYP3A4:  No
Log kp:  -6.64
Lipinski:0
Ghose: 1
Veber: 0
Egan: 0
Muegge: 0
Bioavalability Score0.55
PAINS:0
Brenk: 0
Leadlikeness: 1
Synthetic Accessibility: 2.70