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NCID-ZINC04974765

 MMsINC code: MMs02422814
Type: Neutral
Formula: C15H13NO2
SMILES:   Oc1ccccc1CC1c2c(NC1=O)cccc2
InChI:   InChI=1/C15H13NO2/c17-14-8-4-1-5-10(14)9-12-11-6-2-3-7-13(11)16-15(12)18/h1-8,12,17H,9H2,(H,16,18)/t12-/m0/s1

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Potential Energy
Epot(MMFF94)=54.436 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 239.274 g/mol  logS: -3.11282  SlogP: 2.67057  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.05226  Sterimol/B1: 2.50586  Sterimol/B2: 3.06656  Sterimol/B3: 3.38666
  Sterimol/B4: 5.44171  Sterimol/L: 14.2684 
 
 Surface and Volume Properties
  Accessible surface: 449.431  Positive charged surface: 264.09  Negative charged surface: 185.341  Volume: 231.625
  Hydrophobic surface: 348.029  Hydrophilic surface: 101.402
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.