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NCID-ZINC05105820

 MMsINC code: MMs02442063
Type: Neutral
Formula: C14H24O
SMILES:   O=C1CCC2(C(CC(CC2)(C)C)C1C)C
InChI:   InChI=1/C14H24O/c1-10-11-9-13(2,3)7-8-14(11,4)6-5-12(10)15/h10-11H,5-9H2,1-4H3/t10-,11-,14+/m1/s1

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Potential Energy
Epot(MMFF94)=66.8844 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 208.345 g/mol  logS: -4.4596  SlogP: 3.818  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.266559  Sterimol/B1: 2.02741  Sterimol/B2: 3.45441  Sterimol/B3: 3.58156
  Sterimol/B4: 7.07705  Sterimol/L: 11.1442 
 
 Surface and Volume Properties
  Accessible surface: 404.669  Positive charged surface: 284.416  Negative charged surface: 120.253  Volume: 230.5
  Hydrophobic surface: 304.992  Hydrophilic surface: 99.677
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.