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PUBCHEM-ZINC00971548

 MMsINC code: MMs02746696
Type: Neutral
Formula: C24H34O4
SMILES:   O1C23C4C(CCC2(C)C(C(OC1CC)C3)C(=O)C)C1(C(=CC(=O)CC1)CC4)C
InChI:   InChI=1/C24H34O4/c1-5-20-27-19-13-24(28-20)18-7-6-15-12-16(26)8-10-22(15,3)17(18)9-11-23(24,4)21(19)14(2)25/h12,17-21H,5-11,13H2,1-4H3/t17-,18+,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)=168.775 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 386.532 g/mol  logS: -4.38718  SlogP: 4.6075  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.188433  Sterimol/B1: 2.55728  Sterimol/B2: 2.95068  Sterimol/B3: 5.03805
  Sterimol/B4: 8.42116  Sterimol/L: 14.3862 
 
 Surface and Volume Properties
  Accessible surface: 580.844  Positive charged surface: 407.535  Negative charged surface: 173.308  Volume: 382.5
  Hydrophobic surface: 468.812  Hydrophilic surface: 112.032
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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: 0
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Ions/Tautomers related molecules: no related molecules available.