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NCID-ZINC05699937

 MMsINC code: MMs02486449
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+/m1/s1

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Potential Energy
Epot(MMFF94)=84.0044 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: 0.0748838  Sterimol/B1: 2.96274  Sterimol/B2: 3.61159  Sterimol/B3: 3.79874
  Sterimol/B4: 4.35574  Sterimol/L: 15.1104 
 
 Surface and Volume Properties
  Accessible surface: 453.33  Positive charged surface: 241.903  Negative charged surface: 211.427  Volume: 235.5
  Hydrophobic surface: 379.242  Hydrophilic surface: 74.088
 
 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.