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PUBCHEM-ZINC05645219

 MMsINC code: MMs03333579
Type: Neutral
Formula: C24H30O4
SMILES:   O1C2C=C(OCC3C4(C(CC=C3C)C(C)(C)C(=O)CC4)C)C=CC2=CCC1=O
InChI:   InChI=1/C24H30O4/c1-15-5-9-20-23(2,3)21(25)11-12-24(20,4)18(15)14-27-17-8-6-16-7-10-22(26)28-19(16)13-17/h5-8,13,18-20H,9-12,14H2,1-4H3/t18-,19-,20-,24-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=138.79 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 382.5 g/mol  logS: -4.2459  SlogP: 4.6764  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0729341  Sterimol/B1: 2.38343  Sterimol/B2: 3.86342  Sterimol/B3: 4.21809
  Sterimol/B4: 8.32274  Sterimol/L: 17.008 
 
 Surface and Volume Properties
  Accessible surface: 617.042  Positive charged surface: 393.714  Negative charged surface: 223.329  Volume: 378.75
  Hydrophobic surface: 438.453  Hydrophilic surface: 178.589
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.