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NCID-ZINC01598367

 MMsINC code: MMs02251937
Type: Neutral
Formula: C14H24O3
SMILES:   O(C(=O)C1(O)CCCCC1)C1CCCCC1C
InChI:   InChI=1/C14H24O3/c1-11-7-3-4-8-12(11)17-13(15)14(16)9-5-2-6-10-14/h11-12,16H,2-10H2,1H3/t11-,12+/m1/s1

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Potential Energy
Epot(MMFF94)=38.3871 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 240.343 g/mol  logS: -2.94022  SlogP: 2.8035  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.129803  Sterimol/B1: 2.15751  Sterimol/B2: 2.86659  Sterimol/B3: 4.19015
  Sterimol/B4: 6.72903  Sterimol/L: 13.0852 
 
 Surface and Volume Properties
  Accessible surface: 460.74  Positive charged surface: 348.103  Negative charged surface: 112.637  Volume: 252.125
  Hydrophobic surface: 399.244  Hydrophilic surface: 61.496
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.