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ZINC ID                   RADAR Physiochemical Propperties Lipophilicity Water solubility Phyarmacokinetics Druglikeness Medicinal Chemistry
72236704

CC(Cc1[nH]nc(n1)COc1cccc(c1)N)C		 Formula:C13H18N4O
Mol: 246.31
Heavy atoms:18
Aromatic heavy atoms: 11
Fraction Csp3: 0.38
Rotatable bonds: 5
H-bond acceptors: 3
H-bond donors: 2
MR: 71.15
TPSA: 76.82
ILOGP:1.74
XLOGP3: 2.43
WLOGP: 2.02
MLOGP: 1.40
Silicos ITLogP: 2.50
Consensus LogP: 2.02
 ESOL
LogS:-3.02
Solubility(mg/ml): 0.235000
Solubility(mol/l):0.000954
Class:Soluble

Ali
LogS:-3.69
Solubility(mg/ml): 0.050800
Solubility(mol/l): 0.000206
Class:Soluble

SilicosIT
LogS:-4.40
Solubility(mg/ml): 0.009810
Solubility(mol/l): 0.000040
Class:Moderately soluble
GIAbsorption:High
BBB permeant: No
Pgp substrate: Yes
CYP1A2 inhibitor: Yes
CYP2C19:  No
CYP2C9:  No
CYP2D6:  No
CYP3A4:  No
Log kp:  -6.08
Lipinski:0
Ghose: 0
Veber: 0
Egan: 0
Muegge: 0
Bioavalability Score0.55
PAINS:0
Brenk: 1
Leadlikeness: 1
Synthetic Accessibility: 2.66