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ASINEX-ZINC00809976

 MMsINC code: MMs00174787
Type: Neutral
Formula: C15H18N2O2
SMILES:   O(CC(=O)n1nc(cc1C)C)c1ccc(cc1C)C
InChI:   InChI=1/C15H18N2O2/c1-10-5-6-14(11(2)7-10)19-9-15(18)17-13(4)8-12(3)16-17/h5-8H,9H2,1-4H3

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Potential Energy
Epot(MMFF94)=74.281 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 258.321 g/mol  logS: -3.20813  SlogP: 2.83598  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0131819  Sterimol/B1: 2.51207  Sterimol/B2: 2.51224  Sterimol/B3: 3.36343
  Sterimol/B4: 6.10051  Sterimol/L: 15.5919 
 
 Surface and Volume Properties
  Accessible surface: 529.425  Positive charged surface: 333.592  Negative charged surface: 195.833  Volume: 264.5
  Hydrophobic surface: 481.28  Hydrophilic surface: 48.145
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.