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PUBCHEM-ZINC06763414

 MMsINC code: MMs03856924
Type: Neutral
Formula: C15H24O5
SMILES:   O1C2CC(OC2CC1C(O)C\C=C\CC)CC(OC)=O
InChI:   InChI=1/C15H24O5/c1-3-4-5-6-11(16)12-9-14-13(20-12)7-10(19-14)8-15(17)18-2/h4-5,10-14,16H,3,6-9H2,1-2H3/b5-4+/t10-,11-,12+,13+,14-/m1/s1

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Potential Energy
Epot(MMFF94)=74.8955 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 284.352 g/mol  logS: -2.20181  SlogP: 1.5817  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.052947  Sterimol/B1: 2.2236  Sterimol/B2: 2.32133  Sterimol/B3: 4.58198
  Sterimol/B4: 6.61508  Sterimol/L: 18.9859 
 
 Surface and Volume Properties
  Accessible surface: 571.309  Positive charged surface: 438.68  Negative charged surface: 132.628  Volume: 285.375
  Hydrophobic surface: 428.436  Hydrophilic surface: 142.873
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 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.