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NCID-ZINC04897329

 MMsINC code: MMs02414340
Type: Neutral
Formula: C14H24O3
SMILES:   O=C1C(CCCC1(CO)CO)C1CCCCC1
InChI:   InChI=1/C14H24O3/c15-9-14(10-16)8-4-7-12(13(14)17)11-5-2-1-3-6-11/h11-12,15-16H,1-10H2/t12-/m0/s1

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Potential Energy
Epot(MMFF94)=57.3796 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 240.343 g/mol  logS: -2.7732  SlogP: 1.9069  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.14265  Sterimol/B1: 3.73125  Sterimol/B2: 3.78413  Sterimol/B3: 3.79991
  Sterimol/B4: 5.39446  Sterimol/L: 12.5147 
 
 Surface and Volume Properties
  Accessible surface: 455.634  Positive charged surface: 376.489  Negative charged surface: 79.1445  Volume: 246.75
  Hydrophobic surface: 360.934  Hydrophilic surface: 94.7
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.