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ASINEX-ZINC00464990

 MMsINC code: MMs00135923
Type: Neutral
Formula: C15H18N2O2
SMILES:   O(C(=O)c1ccc(-n2nc(cc2C)C)cc1)C(C)C
InChI:   InChI=1/C15H18N2O2/c1-10(2)19-15(18)13-5-7-14(8-6-13)17-12(4)9-11(3)16-17/h5-10H,1-4H3

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Potential Energy
Epot(MMFF94)=69.1698 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 258.321 g/mol  logS: -3.20172  SlogP: 3.05434  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0339766  Sterimol/B1: 2.25477  Sterimol/B2: 2.91657  Sterimol/B3: 3.52113
  Sterimol/B4: 6.39853  Sterimol/L: 16.6264 
 
 Surface and Volume Properties
  Accessible surface: 527.478  Positive charged surface: 323.671  Negative charged surface: 203.807  Volume: 265
  Hydrophobic surface: 438.306  Hydrophilic surface: 89.172
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.