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PUBCHEM-ZINC05276491

 MMsINC code: MMs03230432
Type: Neutral
Formula: C20H32O
SMILES:   O(C)C1CC2=CCC3C(CCC4(C3CCC4)C)C2(CC1)C
InChI:   InChI=1/C20H32O/c1-19-10-4-5-17(19)16-7-6-14-13-15(21-3)8-12-20(14,2)18(16)9-11-19/h6,15-18H,4-5,7-13H2,1-3H3/t15-,16+,17-,18-,19-,20+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=107.886 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 288.475 g/mol  logS: -6.56037  SlogP: 5.3543  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.184254  Sterimol/B1: 2.96399  Sterimol/B2: 3.12737  Sterimol/B3: 5.08309
  Sterimol/B4: 6.17765  Sterimol/L: 14.004 
 
 Surface and Volume Properties
  Accessible surface: 511.144  Positive charged surface: 412.085  Negative charged surface: 99.0585  Volume: 315.75
  Hydrophobic surface: 469.443  Hydrophilic surface: 41.701
 
 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: 1
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Ions/Tautomers related molecules: no related molecules available.