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NCID-ZINC01674589

 MMsINC code: MMs02310122
Type: Neutral
Formula: C17H11NO2
SMILES:   O=C1C2=C(N(C)C(=O)c3c2cccc3)c2c1cccc2
InChI:   InChI=1/C17H11NO2/c1-18-15-11-7-3-4-8-12(11)16(19)14(15)10-6-2-5-9-13(10)17(18)20/h2-9H,1H3

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Potential Energy
Epot(MMFF94)=77.5814 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 261.28 g/mol  logS: -4.35003  SlogP: 2.8368  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.00543278  Sterimol/B1: 2.37398  Sterimol/B2: 2.37603  Sterimol/B3: 2.3804
  Sterimol/B4: 7.65459  Sterimol/L: 13.9296 
 
 Surface and Volume Properties
  Accessible surface: 446.266  Positive charged surface: 253.247  Negative charged surface: 193.019  Volume: 247.375
  Hydrophobic surface: 372.526  Hydrophilic surface: 73.74
 
 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.