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NCID-ZINC01767891

 MMsINC code: MMs02370343
Type: Neutral
Formula: C15H11NO4
SMILES:   O1C(C1C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1
InChI:   InChI=1/C15H11NO4/c17-13(10-4-2-1-3-5-10)15-14(20-15)11-6-8-12(9-7-11)16(18)19/h1-9,14-15H/t14-,15+/m1/s1

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Potential Energy
Epot(MMFF94)=76.0506 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 269.256 g/mol  logS: -4.5394  SlogP: 3.0131  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.281023  Sterimol/B1: 3.09488  Sterimol/B2: 3.43779  Sterimol/B3: 4.29645
  Sterimol/B4: 7.1576  Sterimol/L: 11.4408 
 
 Surface and Volume Properties
  Accessible surface: 455.79  Positive charged surface: 217.318  Negative charged surface: 238.472  Volume: 244.875
  Hydrophobic surface: 324.425  Hydrophilic surface: 131.365
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.