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ENAMINE-ZINC04206295

 MMsINC code: MMs01534111
Type: Neutral
Formula: C9H11F2NO
SMILES:   FC(F)Oc1ccc(cc1)CCN
InChI:   InChI=1/C9H11F2NO/c10-9(11)13-8-3-1-7(2-4-8)5-6-12/h1-4,9H,5-6,12H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=36.6784 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 187.189 g/mol  logS: -1.24552  SlogP: 2.20907  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0609798  Sterimol/B1: 2.68879  Sterimol/B2: 2.69622  Sterimol/B3: 2.94798
  Sterimol/B4: 4.82706  Sterimol/L: 13.0014 
 
 Surface and Volume Properties
  Accessible surface: 376.979  Positive charged surface: 230.019  Negative charged surface: 146.96  Volume: 169.75
  Hydrophobic surface: 222.69  Hydrophilic surface: 154.289
 
 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


MMs01534112
ENAMINE-ZINC04206295