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PUBCHEM-ZINC05434405

 MMsINC code: MMs03268878
Type: Neutral
Formula: C23H34O4
SMILES:   O(C(=O)C)C1CC2=CCC3C4CCC(C(=O)C)C4(CCC3C2(CC1)CO)C
InChI:   InChI=1/C23H34O4/c1-14(25)19-6-7-20-18-5-4-16-12-17(27-15(2)26)8-11-23(16,13-24)21(18)9-10-22(19,20)3/h4,17-21,24H,5-13H2,1-3H3/t17-,18-,19+,20-,21-,22+,23+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=134.131 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 374.521 g/mol  logS: -4.31623  SlogP: 4.0585  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0765945  Sterimol/B1: 2.11799  Sterimol/B2: 3.58107  Sterimol/B3: 4.26272
  Sterimol/B4: 6.40401  Sterimol/L: 18.4485 
 
 Surface and Volume Properties
  Accessible surface: 598.986  Positive charged surface: 429.396  Negative charged surface: 169.59  Volume: 376.75
  Hydrophobic surface: 479.419  Hydrophilic surface: 119.567
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.