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PUBCHEM-ZINC05761553

 MMsINC code: MMs03374844
Type: Neutral
Formula: C17H26O
SMILES:   Oc1c(c2c(cc1C(C)C)CCC2(C)C)C(C)C
InChI:   InChI=1/C17H26O/c1-10(2)13-9-12-7-8-17(5,6)15(12)14(11(3)4)16(13)18/h9-11,18H,7-8H2,1-6H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=88.736 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 246.394 g/mol  logS: -5.79621  SlogP: 4.86277  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.196241  Sterimol/B1: 2.37148  Sterimol/B2: 4.64014  Sterimol/B3: 4.89078
  Sterimol/B4: 5.6261  Sterimol/L: 12.0747 
 
 Surface and Volume Properties
  Accessible surface: 482.187  Positive charged surface: 342.03  Negative charged surface: 140.156  Volume: 277.125
  Hydrophobic surface: 355.958  Hydrophilic surface: 126.229
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.