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NCID-ZINC05850483

 MMsINC code: MMs02507748
Type: Neutral
Formula: C14H24O5
SMILES:   O1CC(COC1(C)C)\C=C/C(O)CC1(OCCO1)C
InChI:   InChI=1/C14H24O5/c1-13(2)18-9-11(10-19-13)4-5-12(15)8-14(3)16-6-7-17-14/h4-5,11-12,15H,6-10H2,1-3H3/b5-4-/t12-/m1/s1

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Potential Energy
Epot(MMFF94)=70.8709 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 272.341 g/mol  logS: -1.81386  SlogP: 1.4557  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.11144  Sterimol/B1: 3.37397  Sterimol/B2: 4.30902  Sterimol/B3: 4.51804
  Sterimol/B4: 4.89256  Sterimol/L: 13.7229 
 
 Surface and Volume Properties
  Accessible surface: 511.388  Positive charged surface: 393.661  Negative charged surface: 117.728  Volume: 271.25
  Hydrophobic surface: 374.421  Hydrophilic surface: 136.967
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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.