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ENAMINE-ZINC03411555

 MMsINC code: MMs01426157
Type: Neutral
Formula: C15H17FO4
SMILES:   Fc1ccc(cc1)\C=C\C(OCC1OC(OC1)(C)C)=O
InChI:   InChI=1/C15H17FO4/c1-15(2)19-10-13(20-15)9-18-14(17)8-5-11-3-6-12(16)7-4-11/h3-8,13H,9-10H2,1-2H3/b8-5+/t13-/m0/s1

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Potential Energy
Epot(MMFF94)=59.681 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 280.295 g/mol  logS: -3.71191  SlogP: 2.5336  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0401807  Sterimol/B1: 2.21893  Sterimol/B2: 3.23418  Sterimol/B3: 3.95795
  Sterimol/B4: 6.08938  Sterimol/L: 17.039 
 
 Surface and Volume Properties
  Accessible surface: 540.126  Positive charged surface: 315.694  Negative charged surface: 224.432  Volume: 264
  Hydrophobic surface: 436.132  Hydrophilic surface: 103.994
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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: no related molecules available.