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PUBCHEM-ZINC04532758

 MMsINC code: MMs03130377
Type: Neutral
Formula: C24H42O2
SMILES:   OC1CC2CCC3C4CCC(C(CCCO)C)C4(CCC3C2(CC1)C)C
InChI:   InChI=1/C24H42O2/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/h16-22,25-26H,4-15H2,1-3H3/t16-,17+,18+,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)=193.809 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 362.598 g/mol  logS: -8.35688  SlogP: 5.4148  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.113726  Sterimol/B1: 2.7413  Sterimol/B2: 3.74973  Sterimol/B3: 5.24081
  Sterimol/B4: 5.27428  Sterimol/L: 18.2317 
 
 Surface and Volume Properties
  Accessible surface: 607.822  Positive charged surface: 469.086  Negative charged surface: 138.735  Volume: 387.25
  Hydrophobic surface: 460.499  Hydrophilic surface: 147.323
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.