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PUBCHEM-ZINC06202506

 MMsINC code: MMs03610066
Type: Neutral
Formula: C19H26O
SMILES:   O=C1CCC2(C3C(C4C(CC3)=C(CC4)C)CCC2=C1)C
InChI:   InChI=1/C19H26O/c1-12-3-5-16-15(12)7-8-18-17(16)6-4-13-11-14(20)9-10-19(13,18)2/h11,16-18H,3-10H2,1-2H3/t16-,17+,18+,19-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=77.2028 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.416 g/mol  logS: -5.52857  SlogP: 4.8285  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.180507  Sterimol/B1: 2.44048  Sterimol/B2: 3.51499  Sterimol/B3: 4.45818
  Sterimol/B4: 6.15837  Sterimol/L: 13.4236 
 
 Surface and Volume Properties
  Accessible surface: 483.144  Positive charged surface: 340.895  Negative charged surface: 142.249  Volume: 287.25
  Hydrophobic surface: 415.471  Hydrophilic surface: 67.673
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.