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PUBCHEM-ZINC06795258

 MMsINC code: MMs03862802
Type: Neutral
Formula: C26H34O
SMILES:   O=C/1CC2CCC3C(CCC4(C3CCC4)C)C2(C\C\1=C/c1ccccc1)C
InChI:   InChI=1/C26H34O/c1-25-13-6-9-22(25)21-11-10-20-16-24(27)19(15-18-7-4-3-5-8-18)17-26(20,2)23(21)12-14-25/h3-5,7-8,15,20-23H,6,9-14,16-17H2,1-2H3/b19-15-/t20-,21+,22-,23-,25+,26+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=175.42 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 362.557 g/mol  logS: -9.22661  SlogP: 6.6818  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.172659  Sterimol/B1: 2.49048  Sterimol/B2: 3.08217  Sterimol/B3: 5.05657
  Sterimol/B4: 8.04282  Sterimol/L: 15.6151 
 
 Surface and Volume Properties
  Accessible surface: 591.755  Positive charged surface: 409.995  Negative charged surface: 181.76  Volume: 378.125
  Hydrophobic surface: 545.882  Hydrophilic surface: 45.873
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 6
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.