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PUBCHEM-ZINC06412142

 MMsINC code: MMs03715345
Type: Neutral
Formula: C23H33FO2
SMILES:   FCC(=O)C1C2(C(CC1CC)C1C(CC2)C2(C(=CC(=O)CC2)CC1)C)C
InChI:   InChI=1/C23H33FO2/c1-4-14-11-19-17-6-5-15-12-16(25)7-9-22(15,2)18(17)8-10-23(19,3)21(14)20(26)13-24/h12,14,17-19,21H,4-11,13H2,1-3H3/t14-,17-,18-,19+,21+,22+,23+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=137.203 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 360.513 g/mol  logS: -7.36237  SlogP: 5.3092  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.175122  Sterimol/B1: 2.34275  Sterimol/B2: 3.74438  Sterimol/B3: 4.53367
  Sterimol/B4: 7.14924  Sterimol/L: 15.0354 
 
 Surface and Volume Properties
  Accessible surface: 567.434  Positive charged surface: 373.12  Negative charged surface: 194.313  Volume: 364.5
  Hydrophobic surface: 403.814  Hydrophilic surface: 163.62
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 7
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.