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PUBCHEM-ZINC01259857

 MMsINC code: MMs02792482
Type: Neutral
Formula: C13H10FNO2
SMILES:   Fc1cc(ccc1)-c1ccc(cc1)C(=O)NO
InChI:   InChI=1/C13H10FNO2/c14-12-3-1-2-11(8-12)9-4-6-10(7-5-9)13(16)15-17/h1-8,17H,(H,15,16)

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Potential Energy
Epot(MMFF94)=84.7094 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 231.226 g/mol  logS: -4.16175  SlogP: 2.6117  Reactive groups: 0
 
 Topological Properties
  Globularity: 4.43693e-07  Sterimol/B1: 2.0978  Sterimol/B2: 2.10227  Sterimol/B3: 2.4739
  Sterimol/B4: 5.50445  Sterimol/L: 15.0117 
 
 Surface and Volume Properties
  Accessible surface: 427.342  Positive charged surface: 188.284  Negative charged surface: 227.986  Volume: 210.625
  Hydrophobic surface: 307.484  Hydrophilic surface: 119.858
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.