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PUBCHEM-ZINC01010530

MMsINC code: MMs02756290

Type: Neutral
Formula: C19H24O
SMILES:   o1c2c(cc1C=C1CCC(CC1)C(C)(C)C)cccc2
InChI:   InChI=1/C19H24O/c1-19(2,3)16-10-8-14(9-11-16)12-17-13-15-6-4-5-7-18(15)20-17/h4-7,12-13,16H,8-11H2,1-3H3/b14-12-/t16-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=80.7346 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 268.4 g/mol  logS: -7.61822  SlogP: 6.0525  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0614249  Sterimol/B1: 1.97683  Sterimol/B2: 3.73111  Sterimol/B3: 5.09703
  Sterimol/B4: 5.16998  Sterimol/L: 16.377 
 
 Surface and Volume Properties
  Accessible surface: 522.908  Positive charged surface: 342.072  Negative charged surface: 175.654  Volume: 293.125
  Hydrophobic surface: 469.996  Hydrophilic surface: 52.912
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.