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NCID-ZINC04776068

 MMsINC code: MMs02404599
Type: Neutral
Formula: C14H7NO6
SMILES:   Oc1c([N+](=O)[O-])cc2c(c1O)C(=O)c1c(cccc1)C2=O
InChI:   InChI=1/C14H7NO6/c16-11-6-3-1-2-4-7(6)12(17)10-8(11)5-9(15(20)21)13(18)14(10)19/h1-5,18-19H

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Potential Energy
Epot(MMFF94)=86.8728 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 285.211 g/mol  logS: -3.95133  SlogP: 1.7814  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00235804  Sterimol/B1: 2.10731  Sterimol/B2: 2.20096  Sterimol/B3: 3.74896
  Sterimol/B4: 5.24477  Sterimol/L: 13.9411 
 
 Surface and Volume Properties
  Accessible surface: 437.066  Positive charged surface: 204.639  Negative charged surface: 232.427  Volume: 228.375
  Hydrophobic surface: 221.81  Hydrophilic surface: 215.256
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.