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PUBCHEM-ZINC05249170

 MMsINC code: MMs03227964
Type: Neutral
Formula: C15H10N2O5
SMILES:   O=C(\C=C\c1ccc([N+](=O)[O-])cc1)c1cc([N+](=O)[O-])ccc1
InChI:   InChI=1/C15H10N2O5/c18-15(12-2-1-3-14(10-12)17(21)22)9-6-11-4-7-13(8-5-11)16(19)20/h1-10H/b9-6+

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Potential Energy
Epot(MMFF94)=100.853 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 298.254 g/mol  logS: -5.54397  SlogP: 3.3991  Reactive groups: 1
 
 Topological Properties
  Globularity: 2.7267e-07  Sterimol/B1: 2.09804  Sterimol/B2: 2.10221  Sterimol/B3: 2.55947
  Sterimol/B4: 6.03276  Sterimol/L: 18.1826 
 
 Surface and Volume Properties
  Accessible surface: 514.913  Positive charged surface: 173.79  Negative charged surface: 341.123  Volume: 256.25
  Hydrophobic surface: 313.954  Hydrophilic surface: 200.959
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.