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PUBCHEM-ZINC04775495

 MMsINC code: MMs03169607
Type: Neutral
Formula: C17H26O
SMILES:   O(CC=C)c1ccc(cc1)C(CC(C)(C)C)(C)C
InChI:   InChI=1/C17H26O/c1-7-12-18-15-10-8-14(9-11-15)17(5,6)13-16(2,3)4/h7-11H,1,12-13H2,2-6H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=178.985 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 246.394 g/mol  logS: -6.01195  SlogP: 4.9652  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0736291  Sterimol/B1: 1.97746  Sterimol/B2: 3.90134  Sterimol/B3: 4.90538
  Sterimol/B4: 5.37872  Sterimol/L: 16.4309 
 
 Surface and Volume Properties
  Accessible surface: 510.037  Positive charged surface: 321.282  Negative charged surface: 188.755  Volume: 279
  Hydrophobic surface: 368.419  Hydrophilic surface: 141.618
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.