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PUBCHEM-ZINC05431952

 MMsINC code: MMs03268245
Type: Neutral
Formula: C24H38O5
SMILES:   O(C(=O)C)C1CC2C3(CC1(CC3)C)C1(C(C(CCC1)(COC(=O)C)C)C(O)C2)C
InChI:   InChI=1/C24H38O5/c1-15(25)28-14-22(4)7-6-8-23(5)20(22)18(27)11-17-12-19(29-16(2)26)21(3)9-10-24(17,23)13-21/h17-20,27H,6-14H2,1-5H3/t17-,18+,19-,20-,21-,22+,23-,24-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=152.434 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 406.563 g/mol  logS: -4.93368  SlogP: 4.255  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.156479  Sterimol/B1: 2.8855  Sterimol/B2: 4.11283  Sterimol/B3: 5.11979
  Sterimol/B4: 6.17159  Sterimol/L: 16.8836 
 
 Surface and Volume Properties
  Accessible surface: 639.358  Positive charged surface: 443.883  Negative charged surface: 195.476  Volume: 407.375
  Hydrophobic surface: 492.617  Hydrophilic surface: 146.741
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 8
 
 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.