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PUBCHEM-ZINC05459684

 MMsINC code: MMs03276181
Type: Neutral
Formula: C24H34O3
SMILES:   OC1C2C(C3CC(C)C(C(=O)CC)(C)C3(C1)C)CCC1=CC(=O)C=CC12C
InChI:   InChI=1/C24H34O3/c1-6-20(27)24(5)14(2)11-18-17-8-7-15-12-16(25)9-10-22(15,3)21(17)19(26)13-23(18,24)4/h9-10,12,14,17-19,21,26H,6-8,11,13H2,1-5H3/t14-,17-,18-,19+,21+,22+,23+,24-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=168.91 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 370.533 g/mol  logS: -5.38493  SlogP: 4.4965  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.198825  Sterimol/B1: 3.46196  Sterimol/B2: 3.82444  Sterimol/B3: 4.72202
  Sterimol/B4: 6.42379  Sterimol/L: 15.5049 
 
 Surface and Volume Properties
  Accessible surface: 569.108  Positive charged surface: 368.647  Negative charged surface: 200.461  Volume: 376.375
  Hydrophobic surface: 384.822  Hydrophilic surface: 184.286
 
 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.