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NCID-ZINC01585538

 MMsINC code: MMs02241887
Type: Neutral
Formula: C19H22O
SMILES:   OC1CCCCCC1(c1ccccc1)c1ccccc1
InChI:   InChI=1/C19H22O/c20-18-14-8-3-9-15-19(18,16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-2,4-7,10-13,18,20H,3,8-9,14-15H2/t18-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=201.525 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 266.384 g/mol  logS: -4.51898  SlogP: 4.2977  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.361937  Sterimol/B1: 2.40836  Sterimol/B2: 3.65243  Sterimol/B3: 4.27997
  Sterimol/B4: 7.58777  Sterimol/L: 11.9588 
 
 Surface and Volume Properties
  Accessible surface: 474.269  Positive charged surface: 315.222  Negative charged surface: 159.048  Volume: 277.875
  Hydrophobic surface: 437.213  Hydrophilic surface: 37.056
 
 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.