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NCID-ZINC01747923

 MMsINC code: MMs02361302
Type: Neutral
Formula: C17H13NO2
SMILES:   Oc1ccc2c(cccc2)c1NC(=O)c1ccccc1
InChI:   InChI=1/C17H13NO2/c19-15-11-10-12-6-4-5-9-14(12)16(15)18-17(20)13-7-2-1-3-8-13/h1-11,19H,(H,18,20)

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Potential Energy
Epot(MMFF94)=97.4705 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 263.296 g/mol  logS: -4.8708  SlogP: 3.7977  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0652539  Sterimol/B1: 3.25864  Sterimol/B2: 3.55754  Sterimol/B3: 4.47602
  Sterimol/B4: 5.56299  Sterimol/L: 14.611 
 
 Surface and Volume Properties
  Accessible surface: 489.571  Positive charged surface: 256.941  Negative charged surface: 221.091  Volume: 256.25
  Hydrophobic surface: 415.517  Hydrophilic surface: 74.054
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.