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PUBCHEM-ZINC05276042

 MMsINC code: MMs03230242
Type: Neutral
Formula: C24H38O2
SMILES:   O=C1CCC2(C3C(C4CCC(C(CCCO)C)C4(CC3)C)CCC2=C1)C
InChI:   InChI=1/C24H38O2/c1-16(5-4-14-25)20-8-9-21-19-7-6-17-15-18(26)10-12-23(17,2)22(19)11-13-24(20,21)3/h15-16,19-22,25H,4-14H2,1-3H3/t16-,19-,20-,21+,22-,23-,24-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=142.318 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 358.566 g/mol  logS: -8.16853  SlogP: 5.5431  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0945796  Sterimol/B1: 2.27307  Sterimol/B2: 3.47074  Sterimol/B3: 4.87298
  Sterimol/B4: 6.64265  Sterimol/L: 18.0089 
 
 Surface and Volume Properties
  Accessible surface: 601.216  Positive charged surface: 433.524  Negative charged surface: 167.691  Volume: 382.875
  Hydrophobic surface: 454.861  Hydrophilic surface: 146.355
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.