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ENAMINE-ZINC03300992

 MMsINC code: MMs01358585
Type: Neutral
Formula: C10H13F2NO2
SMILES:   FC(F)Oc1ccc(cc1OC)CNC
InChI:   InChI=1/C10H13F2NO2/c1-13-6-7-3-4-8(15-10(11)12)9(5-7)14-2/h3-5,10,13H,6H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=53.7957 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 217.215 g/mol  logS: -1.31001  SlogP: 2.7023  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0581842  Sterimol/B1: 2.45725  Sterimol/B2: 3.1829  Sterimol/B3: 3.30162
  Sterimol/B4: 6.38784  Sterimol/L: 12.9458 
 
 Surface and Volume Properties
  Accessible surface: 419.686  Positive charged surface: 302.94  Negative charged surface: 116.746  Volume: 195.5
  Hydrophobic surface: 295.755  Hydrophilic surface: 123.931
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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


MMs01358586
ENAMINE-ZINC03300992