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PUBCHEM-ZINC02164952

 MMsINC code: MMs02878530
Type: Neutral
Formula: C15H11N3O7
SMILES:   O(N(C(=O)c1ccc([N+](=O)[O-])cc1)C)C(=O)c1ccc([N+](=O)[O-])cc
1
InChI:   InChI=1/C15H11N3O7/c1-16(14(19)10-2-6-12(7-3-10)17(21)22)25-15(20)11-4-8-13(9-5-11)18(23)24/h2-9H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=169.316 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 345.267 g/mol  logS: -5.29347  SlogP: 2.347  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.10163  Sterimol/B1: 1.969  Sterimol/B2: 2.92628  Sterimol/B3: 4.34228
  Sterimol/B4: 10.2637  Sterimol/L: 14.0552 
 
 Surface and Volume Properties
  Accessible surface: 536.709  Positive charged surface: 226.488  Negative charged surface: 310.221  Volume: 279.875
  Hydrophobic surface: 318.691  Hydrophilic surface: 218.018
 
 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.