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NCID-ZINC04416485

 MMsINC code: MMs02386282
Type: Neutral
Formula: C24H38O3
SMILES:   O1CCCCC1OC1CC2=CCC3C4CCC(O)C4(CCC3C2(CC1)C)C
InChI:   InChI=1/C24H38O3/c1-23-12-10-17(27-22-5-3-4-14-26-22)15-16(23)6-7-18-19-8-9-21(25)24(19,2)13-11-20(18)23/h6,17-22,25H,3-5,7-15H2,1-2H3/t17-,18-,19-,20-,21-,22+,23-,24-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=117.712 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 374.565 g/mol  logS: -4.73943  SlogP: 5.2219  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0517132  Sterimol/B1: 2.13535  Sterimol/B2: 3.94994  Sterimol/B3: 4.80783
  Sterimol/B4: 4.95028  Sterimol/L: 19.0255 
 
 Surface and Volume Properties
  Accessible surface: 630.458  Positive charged surface: 500.223  Negative charged surface: 130.235  Volume: 389.75
  Hydrophobic surface: 538.464  Hydrophilic surface: 91.994
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.