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PUBCHEM-ZINC05700151

 MMsINC code: MMs03352863
Type: Neutral
Formula: C16H20FNO2
SMILES:   Fc1cc(ccc1)CC(OC1CC2N(C(C1)CC2)C)=O
InChI:   InChI=1/C16H20FNO2/c1-18-13-5-6-14(18)10-15(9-13)20-16(19)8-11-3-2-4-12(17)7-11/h2-4,7,13-15H,5-6,8-10H2,1H3/t13-,14+,15+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=79.7179 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 277.339 g/mol  logS: -3.12571  SlogP: 2.53657  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0934339  Sterimol/B1: 3.33826  Sterimol/B2: 3.51669  Sterimol/B3: 4.31338
  Sterimol/B4: 4.96369  Sterimol/L: 15.6217 
 
 Surface and Volume Properties
  Accessible surface: 498.513  Positive charged surface: 345.018  Negative charged surface: 153.495  Volume: 268.75
  Hydrophobic surface: 475.713  Hydrophilic surface: 22.8
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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


MMs03352864
PUBCHEM-ZINC05700151