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PUBCHEM-ZINC05228893

 MMsINC code: MMs03225943
Type: Neutral
Formula: C24H36O3
SMILES:   O(C(=O)C)C1CC2=CCC3C4CCC(C(=O)C)(C)C4(CCC3C2(CC1)C)C
InChI:   InChI=1/C24H36O3/c1-15(25)23(4)12-10-21-19-7-6-17-14-18(27-16(2)26)8-11-22(17,3)20(19)9-13-24(21,23)5/h6,18-21H,7-14H2,1-5H3/t18-,19-,20+,21+,22-,23-,24-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=244.348 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 372.549 g/mol  logS: -5.9881  SlogP: 5.4762  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.16215  Sterimol/B1: 2.0042  Sterimol/B2: 3.04428  Sterimol/B3: 5.25239
  Sterimol/B4: 7.80744  Sterimol/L: 15.2765 
 
 Surface and Volume Properties
  Accessible surface: 566.169  Positive charged surface: 394.911  Negative charged surface: 171.258  Volume: 377.375
  Hydrophobic surface: 466.397  Hydrophilic surface: 99.772
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 7
 
 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.