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NCID-ZINC01600473

 MMsINC code: MMs02253623
Type: Neutral
Formula: C14H26O3
SMILES:   O(C(=O)CCCCCCCCC(C(=O)C)C)C
InChI:   InChI=1/C14H26O3/c1-12(13(2)15)10-8-6-4-5-7-9-11-14(16)17-3/h12H,4-11H2,1-3H3/t12-/m0/s1

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Potential Energy
Epot(MMFF94)=19.1103 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 242.359 g/mol  logS: -3.28267  SlogP: 3.5053  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0238865  Sterimol/B1: 2.12734  Sterimol/B2: 2.54909  Sterimol/B3: 3.62091
  Sterimol/B4: 4.72646  Sterimol/L: 20.7595 
 
 Surface and Volume Properties
  Accessible surface: 568.195  Positive charged surface: 435.463  Negative charged surface: 132.732  Volume: 268.875
  Hydrophobic surface: 472.754  Hydrophilic surface: 95.441
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.