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ENAMINE-ZINC03160186

 MMsINC code: MMs01291644
Type: Neutral
Formula: C14H10NO3-
SMILES:   Oc1ccc(cc1)\C=N\c1ccc(cc1)C(=O)[O-]
InChI:   InChI=1/C14H11NO3/c16-13-7-1-10(2-8-13)9-15-12-5-3-11(4-6-12)14(17)18/h1-9,16H,(H,17,18)/p-1/b15-9+

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Potential Energy
Epot(MMFF94)=46.8222 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 240.238 g/mol  logS: -3.17752  SlogP: 1.5063  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0635413  Sterimol/B1: 2.51643  Sterimol/B2: 3.63764  Sterimol/B3: 3.64012
  Sterimol/B4: 4.87923  Sterimol/L: 16.1453 
 
 Surface and Volume Properties
  Accessible surface: 465.95  Positive charged surface: 235.33  Negative charged surface: 230.62  Volume: 228.25
  Hydrophobic surface: 313.325  Hydrophilic surface: 152.625
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 2  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


MMs01291645
ENAMINE-ZINC03160186