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PUBCHEM-ZINC05228921

 MMsINC code: MMs03225950
Type: Neutral
Formula: C24H38O4
SMILES:   O1C2(C(OC1(C)C)CC1C3C(CCC12C)C1(C(CC(O)CC1)CC3)C)C(=O)C
InChI:   InChI=1/C24H38O4/c1-14(25)24-20(27-21(2,3)28-24)13-19-17-7-6-15-12-16(26)8-10-22(15,4)18(17)9-11-23(19,24)5/h15-20,26H,6-13H2,1-5H3/t15-,16-,17-,18+,19-,20-,22-,23-,24+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=303.778 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 390.564 g/mol  logS: -6.1364  SlogP: 4.4792  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.134589  Sterimol/B1: 2.5166  Sterimol/B2: 3.26306  Sterimol/B3: 5.33476
  Sterimol/B4: 6.55689  Sterimol/L: 16.9285 
 
 Surface and Volume Properties
  Accessible surface: 584.292  Positive charged surface: 417.259  Negative charged surface: 167.033  Volume: 386.25
  Hydrophobic surface: 442.351  Hydrophilic surface: 141.941
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 9
 
 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.