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PUBCHEM-ZINC01258020

 MMsINC code: MMs02791893
Type: Neutral
Formula: C13H10FNO2
SMILES:   Fc1cc(ccc1)-c1cc(ccc1)C(=O)NO
InChI:   InChI=1/C13H10FNO2/c14-12-6-2-4-10(8-12)9-3-1-5-11(7-9)13(16)15-17/h1-8,17H,(H,15,16)

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Potential Energy
Epot(MMFF94)=82.9641 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: 6.24843e-07  Sterimol/B1: 2.0978  Sterimol/B2: 2.10288  Sterimol/B3: 2.53746
  Sterimol/B4: 6.76109  Sterimol/L: 14.5469 
 
 Surface and Volume Properties
  Accessible surface: 430.22  Positive charged surface: 191.043  Negative charged surface: 228.106  Volume: 209.75
  Hydrophobic surface: 307.616  Hydrophilic surface: 122.604
 
 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.