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CHEMBRIDGE-ZINC01826319

 MMsINC code: MMs00698833
Type: Neutral
Formula: C12H16FNO2
SMILES:   Fc1ccc(cc1)C(OCCCN(C)C)=O
InChI:   InChI=1/C12H16FNO2/c1-14(2)8-3-9-16-12(15)10-4-6-11(13)7-5-10/h4-7H,3,8-9H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=40.4887 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 225.263 g/mol  logS: -2.16125  SlogP: 1.9342  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0251893  Sterimol/B1: 2.33039  Sterimol/B2: 3.5974  Sterimol/B3: 3.65035
  Sterimol/B4: 4.42416  Sterimol/L: 16.0703 
 
 Surface and Volume Properties
  Accessible surface: 470.938  Positive charged surface: 334.312  Negative charged surface: 136.626  Volume: 223.25
  Hydrophobic surface: 430.395  Hydrophilic surface: 40.543
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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


MMs00698834
CHEMBRIDGE-ZINC01826319