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CHEMBRIDGE-ZINC02900634

 MMsINC code: MMs00738875
Type: Neutral
Formula: C12H16FNO2
SMILES:   Fc1ccccc1C(OCCCN(C)C)=O
InChI:   InChI=1/C12H16FNO2/c1-14(2)8-5-9-16-12(15)10-6-3-4-7-11(10)13/h3-4,6-7H,5,8-9H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=39.4014 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: 0.0253788  Sterimol/B1: 2.42551  Sterimol/B2: 2.78645  Sterimol/B3: 3.56142
  Sterimol/B4: 5.28669  Sterimol/L: 15.8102 
 
 Surface and Volume Properties
  Accessible surface: 470.448  Positive charged surface: 340.806  Negative charged surface: 129.643  Volume: 222.625
  Hydrophobic surface: 431.929  Hydrophilic surface: 38.519
 
 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


MMs00738876
CHEMBRIDGE-ZINC02900634