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NCID-ZINC01665206

 MMsINC code: MMs02301366
Type: Neutral
Formula: C14H11NO2
SMILES:   OC(=O)C1(N)c2c(-c3c1cccc3)cccc2
InChI:   InChI=1/C14H11NO2/c15-14(13(16)17)11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1-8H,15H2,(H,16,17)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=81.6883 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 225.247 g/mol  logS: -3.59442  SlogP: 2.2654  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0994664  Sterimol/B1: 3.06539  Sterimol/B2: 3.59547  Sterimol/B3: 3.62078
  Sterimol/B4: 6.77747  Sterimol/L: 12 
 
 Surface and Volume Properties
  Accessible surface: 417.41  Positive charged surface: 220.004  Negative charged surface: 187.674  Volume: 214
  Hydrophobic surface: 292.06  Hydrophilic surface: 125.35
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs02301367
NCID-ZINC01665206