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MAYBRIDGE-ZINC00139628

 MMsINC code: MMs02139155
Type: Neutral
Formula: C10H7NO3
SMILES:   O1C(=CC(=O)NC1=O)c1ccccc1
InChI:   InChI=1/C10H7NO3/c12-9-6-8(14-10(13)11-9)7-4-2-1-3-5-7/h1-6H,(H,11,12,13)

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Potential Energy
Epot(MMFF94)=16.9979 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 189.17 g/mol  logS: -3.03556  SlogP: 1.2939  Reactive groups: 0
 
 Topological Properties
  Globularity: 2.54024e-07  Sterimol/B1: 2.097  Sterimol/B2: 2.09916  Sterimol/B3: 3.83137
  Sterimol/B4: 4.09557  Sterimol/L: 11.8154 
 
 Surface and Volume Properties
  Accessible surface: 363.754  Positive charged surface: 177.495  Negative charged surface: 186.26  Volume: 168.375
  Hydrophobic surface: 221.756  Hydrophilic surface: 141.998
 
 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.