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PUBCHEM-ZINC04532926

 MMsINC code: MMs03130459
Type: Neutral
Formula: C23H34O4
SMILES:   O(C(=O)C)C1CC2=CCC3C4CCC(C(OC)=O)C4(CCC3C2(CC1)C)C
InChI:   InChI=1/C23H34O4/c1-14(24)27-16-9-11-22(2)15(13-16)5-6-17-18-7-8-20(21(25)26-4)23(18,3)12-10-19(17)22/h5,16-20H,6-13H2,1-4H3/t16-,17+,18-,19-,20-,22+,23-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=116.003 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 374.521 g/mol  logS: -5.85579  SlogP: 4.6701  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.175848  Sterimol/B1: 2.21288  Sterimol/B2: 2.49768  Sterimol/B3: 6.29523
  Sterimol/B4: 6.91209  Sterimol/L: 16.0842 
 
 Surface and Volume Properties
  Accessible surface: 603.817  Positive charged surface: 449.209  Negative charged surface: 154.608  Volume: 379
  Hydrophobic surface: 502.665  Hydrophilic surface: 101.152
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.