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APOLLO-ZINC03046223

 MMsINC code: MMs00055728
Type: Neutral
Formula: C16H26O
SMILES:   OC(C(CC(C)C)(C)C)(C)c1cc(ccc1)C
InChI:   InChI=1/C16H26O/c1-12(2)11-15(4,5)16(6,17)14-9-7-8-13(3)10-14/h7-10,12,17H,11H2,1-6H3/t16-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=108.36 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 234.383 g/mol  logS: -4.43521  SlogP: 4.58632  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.273562  Sterimol/B1: 2.81158  Sterimol/B2: 3.67714  Sterimol/B3: 4.83751
  Sterimol/B4: 4.94717  Sterimol/L: 13.0306 
 
 Surface and Volume Properties
  Accessible surface: 469.703  Positive charged surface: 304.11  Negative charged surface: 165.593  Volume: 267.125
  Hydrophobic surface: 362.787  Hydrophilic surface: 106.916
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.