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CHEMDIV-ZINC04772726

 MMsINC code: MMs00953140
Type: Neutral
Formula: C20H24FNO2
SMILES:   Fc1ccc(cc1)C(O)(C(CN1CCOCC1)c1ccccc1)C
InChI:   InChI=1/C20H24FNO2/c1-20(23,17-7-9-18(21)10-8-17)19(16-5-3-2-4-6-16)15-22-11-13-24-14-12-22/h2-10,19,23H,11-15H2,1H3/t19-,20+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=114.95 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 329.415 g/mol  logS: -3.67139  SlogP: 3.4607  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.2382  Sterimol/B1: 1.9845  Sterimol/B2: 3.18512  Sterimol/B3: 5.1519
  Sterimol/B4: 8.95282  Sterimol/L: 14.6554 
 
 Surface and Volume Properties
  Accessible surface: 549.363  Positive charged surface: 376.477  Negative charged surface: 172.886  Volume: 325.75
  Hydrophobic surface: 500.165  Hydrophilic surface: 49.198
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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


MMs00953141
CHEMDIV-ZINC04772726