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PUBCHEM-ZINC00372133

 MMsINC code: MMs02665988
Type: Neutral
Formula: C11H11F2NO
SMILES:   Fc1ccc(F)cc1NC(=O)C1CC1C
InChI:   InChI=1/C11H11F2NO/c1-6-4-8(6)11(15)14-10-5-7(12)2-3-9(10)13/h2-3,5-6,8H,4H2,1H3,(H,14,15)/t6-,8+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=55.3853 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 211.211 g/mol  logS: -3.00101  SlogP: 2.5593  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0539671  Sterimol/B1: 2.77912  Sterimol/B2: 2.84061  Sterimol/B3: 3.18879
  Sterimol/B4: 5.57872  Sterimol/L: 12.2958 
 
 Surface and Volume Properties
  Accessible surface: 405.457  Positive charged surface: 231.671  Negative charged surface: 173.786  Volume: 192.5
  Hydrophobic surface: 356.203  Hydrophilic surface: 49.254
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.