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AURORAFEINCHEMIE-ZINC00005356

 MMsINC code: MMs00445507
Type: Neutral
Formula: C16H11NO3
SMILES:   OC=1c2c(N(C(=O)C=1C=O)c1ccccc1)cccc2
InChI:   InChI=1/C16H11NO3/c18-10-13-15(19)12-8-4-5-9-14(12)17(16(13)20)11-6-2-1-3-7-11/h1-10,19H

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Potential Energy
Epot(MMFF94)=100.481 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 265.268 g/mol  logS: -3.64928  SlogP: 2.8329  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.101987  Sterimol/B1: 3.62284  Sterimol/B2: 3.62336  Sterimol/B3: 5.53564
  Sterimol/B4: 5.81256  Sterimol/L: 12.6825 
 
 Surface and Volume Properties
  Accessible surface: 462.763  Positive charged surface: 263.901  Negative charged surface: 198.862  Volume: 247.375
  Hydrophobic surface: 338.739  Hydrophilic surface: 124.024
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.