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NCID-ZINC01767893

 MMsINC code: MMs02370344
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)=74.6897 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: 0.0237546  Sterimol/B1: 2.52091  Sterimol/B2: 2.88219  Sterimol/B3: 3.22071
  Sterimol/B4: 6.47087  Sterimol/L: 15.4504 
 
 Surface and Volume Properties
  Accessible surface: 475.05  Positive charged surface: 208.12  Negative charged surface: 266.93  Volume: 243.25
  Hydrophobic surface: 338.598  Hydrophilic surface: 136.452
 
 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.