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PUBCHEM-ZINC05758778

 MMsINC code: MMs03373020
Type: Neutral
Formula: C26H42O2
SMILES:   OC1C\C(=C/C=C/2\CC3(C(CCC3C(CCCC(C)C)C)CC\2)C)\C(=O)CC1
InChI:   InChI=1/C26H42O2/c1-18(2)6-5-7-19(3)24-14-12-22-11-9-20(17-26(22,24)4)8-10-21-16-23(27)13-15-25(21)28/h8,10,18-19,22-24,27H,5-7,9,11-17H2,1-4H3/b20-8+,21-10+/t19-,22-,23+,24-,26+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=129.196 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 386.62 g/mol  logS: -9.34391  SlogP: 6.6319  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0456001  Sterimol/B1: 1.969  Sterimol/B2: 3.97265  Sterimol/B3: 5.42213
  Sterimol/B4: 7.9923  Sterimol/L: 20.4373 
 
 Surface and Volume Properties
  Accessible surface: 714.56  Positive charged surface: 520.278  Negative charged surface: 194.283  Volume: 425.375
  Hydrophobic surface: 555.912  Hydrophilic surface: 158.648
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 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.