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NANOSIN-ZINC04426685

 MMsINC code: MMs02207065
Type: Neutral
Formula: C14H9N5O4
SMILES:   O=[N+]([O-])c1ccc(cc1)-c1n(nnc1)-c1ccc([N+](=O)[O-])cc1
InChI:   InChI=1/C14H9N5O4/c20-18(21)12-3-1-10(2-4-12)14-9-15-16-17(14)11-5-7-13(8-6-11)19(22)23/h1-9H

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Potential Energy
Epot(MMFF94)=123.811 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 311.257 g/mol  logS: -5.03469  SlogP: 2.7507  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0612098  Sterimol/B1: 2.18013  Sterimol/B2: 3.68367  Sterimol/B3: 5.22439
  Sterimol/B4: 6.33827  Sterimol/L: 13.9441 
 
 Surface and Volume Properties
  Accessible surface: 490.378  Positive charged surface: 174.598  Negative charged surface: 315.78  Volume: 255.75
  Hydrophobic surface: 269.629  Hydrophilic surface: 220.749
 
 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.