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NCID-ZINC01695318

 MMsINC code: MMs02326334
Type: Neutral
Formula: C14H22O
SMILES:   Oc1cc(ccc1CC(C)C)CC(C)C
InChI:   InChI=1/C14H22O/c1-10(2)7-12-5-6-13(8-11(3)4)14(15)9-12/h5-6,9-11,15H,7-8H2,1-4H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=39.9922 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 206.329 g/mol  logS: -4.74864  SlogP: 3.78914  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0863578  Sterimol/B1: 2.3202  Sterimol/B2: 3.73594  Sterimol/B3: 4.11648
  Sterimol/B4: 4.58873  Sterimol/L: 13.7884 
 
 Surface and Volume Properties
  Accessible surface: 453.644  Positive charged surface: 317.4  Negative charged surface: 136.243  Volume: 237.125
  Hydrophobic surface: 337.809  Hydrophilic surface: 115.835
 
 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.