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PUBCHEM-ZINC05712941

 MMsINC code: MMs03355797
Type: Neutral
Formula: C10H8NO4-
SMILES:   O=C(c1cc([N+](=O)[O-])ccc1)[CH-]C(=O)C
InChI:   InChI=1/C10H8NO4/c1-7(12)5-10(13)8-3-2-4-9(6-8)11(14)15/h2-6H,1H3/q-1

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Potential Energy
Epot(MMFF94)=49.6063 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 206.177 g/mol  logS: -2.86975  SlogP: 1.57079  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00699475  Sterimol/B1: 2.09882  Sterimol/B2: 2.51224  Sterimol/B3: 4.2632
  Sterimol/B4: 4.27862  Sterimol/L: 13.7975 
 
 Surface and Volume Properties
  Accessible surface: 393.51  Positive charged surface: 156.178  Negative charged surface: 237.332  Volume: 180.875
  Hydrophobic surface: 227.599  Hydrophilic surface: 165.911
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 1  Basic groups: 0
  Chiral centers: 1
 
 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.