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ASINEX-ZINC00210804

 MMsINC code: MMs00093222
Type: Neutral
Formula: C14H16N2O2
SMILES:   O(CC(=O)n1nc(cc1C)C)c1ccc(cc1)C
InChI:   InChI=1/C14H16N2O2/c1-10-4-6-13(7-5-10)18-9-14(17)16-12(3)8-11(2)15-16/h4-8H,9H2,1-3H3

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Potential Energy
Epot(MMFF94)=70.4787 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 244.294 g/mol  logS: -3.04766  SlogP: 2.52756  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.011086  Sterimol/B1: 2.51225  Sterimol/B2: 2.51461  Sterimol/B3: 4.03167
  Sterimol/B4: 5.25117  Sterimol/L: 15.6262 
 
 Surface and Volume Properties
  Accessible surface: 511.111  Positive charged surface: 310.311  Negative charged surface: 200.8  Volume: 247.125
  Hydrophobic surface: 454.988  Hydrophilic surface: 56.123
 
 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.