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PUBCHEM-ZINC06794613

 MMsINC code: MMs03862371
Type: Neutral
Formula: C24H40O2
SMILES:   OC1CC2CCC3C4CCC(C(CCCO)C)C4(C=CC3C2(CC1)C)C
InChI:   InChI=1/C24H40O2/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/h11,13,16-22,25-26H,4-10,12,14-15H2,1-3H3/t16-,17-,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)=207.758 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 360.582 g/mol  logS: -7.19256  SlogP: 5.1908  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.173716  Sterimol/B1: 3.77447  Sterimol/B2: 4.66422  Sterimol/B3: 4.91415
  Sterimol/B4: 6.71925  Sterimol/L: 14.8201 
 
 Surface and Volume Properties
  Accessible surface: 593.039  Positive charged surface: 451.91  Negative charged surface: 141.128  Volume: 383.875
  Hydrophobic surface: 428.155  Hydrophilic surface: 164.884
 
 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.