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NCID-ZINC05699940

 MMsINC code: MMs02486451
Type: Neutral
Formula: C15H13NO2
SMILES:   O1N=C(C(O)C1c1ccccc1)c1ccccc1
InChI:   InChI=1/C15H13NO2/c17-14-13(11-7-3-1-4-8-11)16-18-15(14)12-9-5-2-6-10-12/h1-10,14-15,17H/t14-,15-/m0/s1

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Potential Energy
Epot(MMFF94)=86.264 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 239.274 g/mol  logS: -3.63154  SlogP: 2.6186  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0763394  Sterimol/B1: 2.99643  Sterimol/B2: 3.76626  Sterimol/B3: 3.85232
  Sterimol/B4: 4.36456  Sterimol/L: 15.1056 
 
 Surface and Volume Properties
  Accessible surface: 457.706  Positive charged surface: 248.913  Negative charged surface: 208.793  Volume: 235.625
  Hydrophobic surface: 386.599  Hydrophilic surface: 71.107
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.