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PUBCHEM-ZINC06488661

 MMsINC code: MMs03763401
Type: Neutral
Formula: C26H37FO3
SMILES:   FCCCC1C2C3CC(C)C4(OC(=O)CC4)C3(CCC2C2(C(C1)=CC(=O)CC2)C)C
InChI:   InChI=1/C26H37FO3/c1-16-13-21-23-17(5-4-12-27)14-18-15-19(28)6-9-24(18,2)20(23)7-10-25(21,3)26(16)11-8-22(29)30-26/h15-17,20-21,23H,4-14H2,1-3H3/t16-,17-,20-,21+,23-,24+,25+,26+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=223.977 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 416.577 g/mol  logS: -6.11087  SlogP: 5.8159  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.19477  Sterimol/B1: 3.72109  Sterimol/B2: 4.21023  Sterimol/B3: 4.91585
  Sterimol/B4: 6.49679  Sterimol/L: 15.2734 
 
 Surface and Volume Properties
  Accessible surface: 609.199  Positive charged surface: 382.255  Negative charged surface: 226.944  Volume: 407.625
  Hydrophobic surface: 424.253  Hydrophilic surface: 184.946
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.