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MAYBRIDGE-ZINC00133431

 MMsINC code: MMs02137800
Type: Neutral
Formula: C14H11NO3
SMILES:   O(NC(=O)c1ccccc1)C(=O)c1ccccc1
InChI:   InChI=1/C14H11NO3/c16-13(11-7-3-1-4-8-11)15-18-14(17)12-9-5-2-6-10-12/h1-10H,(H,15,16)

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Potential Energy
Epot(MMFF94)=95.8297 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 241.246 g/mol  logS: -3.819  SlogP: 2.1884  Reactive groups: 0
 
 Topological Properties
  Globularity: 2.89708e-07  Sterimol/B1: 2.0996  Sterimol/B2: 2.10035  Sterimol/B3: 3.47653
  Sterimol/B4: 4.34622  Sterimol/L: 16.3063 
 
 Surface and Volume Properties
  Accessible surface: 472.277  Positive charged surface: 230.971  Negative charged surface: 241.306  Volume: 227.5
  Hydrophobic surface: 383.741  Hydrophilic surface: 88.536
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.