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PUBCHEM-ZINC04666784

 MMsINC code: MMs03150294
Type: Neutral
Formula: C26H42O2
SMILES:   O=C1C2CC(=O)CCC2(C2C1C1CCC(C(CCCC(C)C)C)C1(CC2)C)C
InChI:   InChI=1/C26H42O2/c1-16(2)7-6-8-17(3)19-9-10-20-23-21(12-14-25(19,20)4)26(5)13-11-18(27)15-22(26)24(23)28/h16-17,19-23H,6-15H2,1-5H3/t17-,19+,20+,21-,22-,23-,25-,26-/m1/s1

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Potential Energy
Epot(MMFF94)=197.899 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 386.62 g/mol  logS: -8.67424  SlogP: 6.4657  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0931522  Sterimol/B1: 2.20416  Sterimol/B2: 4.07223  Sterimol/B3: 4.49351
  Sterimol/B4: 8.86987  Sterimol/L: 17.3519 
 
 Surface and Volume Properties
  Accessible surface: 651.666  Positive charged surface: 464.433  Negative charged surface: 187.233  Volume: 416.75
  Hydrophobic surface: 493.007  Hydrophilic surface: 158.659
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 8
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.