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PUBCHEM-ZINC04214198

 MMsINC code: MMs03101918
Type: Neutral
Formula: C24H34O4
SMILES:   O1C2(CCC3(OC1CC)C1C(CCC23C)C2(C(=CC(=O)CC2)CC1)C)C(=O)C
InChI:   InChI=1/C24H34O4/c1-5-20-27-23(15(2)25)12-13-24(28-20)19-7-6-16-14-17(26)8-10-21(16,3)18(19)9-11-22(23,24)4/h14,18-20H,5-13H2,1-4H3/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)=131.771 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 386.532 g/mol  logS: -4.83247  SlogP: 4.7516  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.24783  Sterimol/B1: 2.41184  Sterimol/B2: 3.19282  Sterimol/B3: 5.67382
  Sterimol/B4: 7.65989  Sterimol/L: 14.6267 
 
 Surface and Volume Properties
  Accessible surface: 586.308  Positive charged surface: 388.386  Negative charged surface: 197.922  Volume: 382
  Hydrophobic surface: 461.252  Hydrophilic surface: 125.056
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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: 0
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Ions/Tautomers related molecules: no related molecules available.