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CHEMBRIDGE-ZINC04996201

 MMsINC code: MMs00823840
Type: Neutral
Formula: C15H11NO4
SMILES:   OC(=O)c1ccc(cc1)\C=N\c1ccc(cc1)C(O)=O
InChI:   InChI=1/C15H11NO4/c17-14(18)11-3-1-10(2-4-11)9-16-13-7-5-12(6-8-13)15(19)20/h1-9H,(H,17,18)(H,19,20)/b16-9+

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Potential Energy
Epot(MMFF94)=54.4855 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 269.256 g/mol  logS: -3.24842  SlogP: 2.8336  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0149045  Sterimol/B1: 2.097  Sterimol/B2: 2.40515  Sterimol/B3: 3.21962
  Sterimol/B4: 5.25482  Sterimol/L: 17.7451 
 
 Surface and Volume Properties
  Accessible surface: 502.013  Positive charged surface: 275.316  Negative charged surface: 226.697  Volume: 247.375
  Hydrophobic surface: 296.114  Hydrophilic surface: 205.899
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  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


MMs00823841
CHEMBRIDGE-ZINC04996201