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PUBCHEM-ZINC06266436

 MMsINC code: MMs03647747
Type: Neutral
Formula: C24H40O
SMILES:   O=C1CCC2C3CCC(C(\C=C\C(C(C)C)C)C)C3(CCC2C1C)C
InChI:   InChI=1/C24H40O/c1-15(2)16(3)7-8-17(4)21-10-11-22-20-9-12-23(25)18(5)19(20)13-14-24(21,22)6/h7-8,15-22H,9-14H2,1-6H3/b8-7+/t16-,17+,18-,19+,20-,21-,22-,24+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=126.237 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 344.583 g/mol  logS: -8.97234  SlogP: 6.5285  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.107062  Sterimol/B1: 2.28518  Sterimol/B2: 2.8782  Sterimol/B3: 4.81108
  Sterimol/B4: 9.41909  Sterimol/L: 15.3369 
 
 Surface and Volume Properties
  Accessible surface: 591.97  Positive charged surface: 430.655  Negative charged surface: 161.315  Volume: 386.25
  Hydrophobic surface: 455.044  Hydrophilic surface: 136.926
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.