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CHEMBRIDGE-ZINC04991425

 MMsINC code: MMs00823260
Type: Neutral
Formula: C14H11NO3
SMILES:   Oc1ccccc1\C=N\c1cc(ccc1)C(O)=O
InChI:   InChI=1/C14H11NO3/c16-13-7-2-1-4-11(13)9-15-12-6-3-5-10(8-12)14(17)18/h1-9,16H,(H,17,18)/b15-9+

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Potential Energy
Epot(MMFF94)=58.2993 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 241.246 g/mol  logS: -2.91707  SlogP: 2.841  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0358355  Sterimol/B1: 2.11164  Sterimol/B2: 3.61835  Sterimol/B3: 3.80081
  Sterimol/B4: 4.88341  Sterimol/L: 15.4406 
 
 Surface and Volume Properties
  Accessible surface: 469.52  Positive charged surface: 270.898  Negative charged surface: 198.622  Volume: 226.5
  Hydrophobic surface: 320.749  Hydrophilic surface: 148.771
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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


MMs00823261
CHEMBRIDGE-ZINC04991425