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PUBCHEM-ZINC05898533

 MMsINC code: MMs03434832
Type: Neutral
Formula: C18H11NO4
SMILES:   Oc1ccccc1N1C(=O)c2cc(O)cc3c2c(ccc3)C1=O
InChI:   InChI=1/C18H11NO4/c20-11-8-10-4-3-5-12-16(10)13(9-11)18(23)19(17(12)22)14-6-1-2-7-15(14)21/h1-9,20-21H

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Potential Energy
Epot(MMFF94)=98.0419 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 305.289 g/mol  logS: -4.91257  SlogP: 3.0516  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0871913  Sterimol/B1: 2.43422  Sterimol/B2: 4.86805  Sterimol/B3: 5.30653
  Sterimol/B4: 5.41864  Sterimol/L: 14.2773 
 
 Surface and Volume Properties
  Accessible surface: 503.426  Positive charged surface: 261.908  Negative charged surface: 229.855  Volume: 269
  Hydrophobic surface: 358.352  Hydrophilic surface: 145.074
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: no related molecules available.