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CHEMBRIDGE-ZINC00285187

 MMsINC code: MMs00601311
Type: Neutral
Formula: C18H10N2O4
SMILES:   O=C1N(C(=O)c2c1cc([N+](=O)[O-])cc2)c1c2c(ccc1)cccc2
InChI:   InChI=1/C18H10N2O4/c21-17-14-9-8-12(20(23)24)10-15(14)18(22)19(17)16-7-3-5-11-4-1-2-6-13(11)16/h1-10H

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Potential Energy
Epot(MMFF94)=109.464 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 318.288 g/mol  logS: -6.4267  SlogP: 3.5486  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0906155  Sterimol/B1: 2.77529  Sterimol/B2: 3.97452  Sterimol/B3: 4.27093
  Sterimol/B4: 7.2025  Sterimol/L: 15.7863 
 
 Surface and Volume Properties
  Accessible surface: 518.821  Positive charged surface: 209.697  Negative charged surface: 300.318  Volume: 277.125
  Hydrophobic surface: 368.453  Hydrophilic surface: 150.368
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.