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NCID-ZINC01607487

 MMsINC code: MMs02259252
Type: Neutral
Formula: C16H13NO2
SMILES:   O=C1C2N(Cc3c1ccc1c3cccc1)C(=O)CC2
InChI:   InChI=1/C16H13NO2/c18-15-8-7-14-16(19)12-6-5-10-3-1-2-4-11(10)13(12)9-17(14)15/h1-6,14H,7-9H2/t14-/m1/s1

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Potential Energy
Epot(MMFF94)=65.4534 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 251.285 g/mol  logS: -3.98918  SlogP: 2.7935  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0411895  Sterimol/B1: 3.01496  Sterimol/B2: 3.43839  Sterimol/B3: 3.73342
  Sterimol/B4: 5.47917  Sterimol/L: 13.4812 
 
 Surface and Volume Properties
  Accessible surface: 448.024  Positive charged surface: 251.282  Negative charged surface: 185.67  Volume: 237.625
  Hydrophobic surface: 363.43  Hydrophilic surface: 84.594
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.