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PUBCHEM-ZINC06067689

 MMsINC code: MMs03520640
Type: Neutral
Formula: C19H26O2
SMILES:   O=C1CCC2C3C(C4=CCC(CO)C4(CC3)C)CCC2=C1
InChI:   InChI=1/C19H26O2/c1-19-9-8-16-15-6-4-14(21)10-12(15)2-5-17(16)18(19)7-3-13(19)11-20/h7,10,13,15-17,20H,2-6,8-9,11H2,1H3/t13-,15+,16-,17-,19-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=75.072 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 286.415 g/mol  logS: -3.92984  SlogP: 3.6568  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0963616  Sterimol/B1: 2.03699  Sterimol/B2: 3.1364  Sterimol/B3: 5.01799
  Sterimol/B4: 5.3745  Sterimol/L: 15.5774 
 
 Surface and Volume Properties
  Accessible surface: 502.536  Positive charged surface: 361.777  Negative charged surface: 140.759  Volume: 295.5
  Hydrophobic surface: 375.338  Hydrophilic surface: 127.198
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 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.