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CHEMBRIDGE-ZINC02933126

 MMsINC code: MMs00742415
Type: Neutral
Formula: C15H25NO
SMILES:   O(CCCN(CC)CC)c1ccccc1CC
InChI:   InChI=1/C15H25NO/c1-4-14-10-7-8-11-15(14)17-13-9-12-16(5-2)6-3/h7-8,10-11H,4-6,9,12-13H2,1-3H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=41.9945 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 235.371 g/mol  logS: -2.86503  SlogP: 3.35967  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0745726  Sterimol/B1: 2.40981  Sterimol/B2: 2.56641  Sterimol/B3: 4.90111
  Sterimol/B4: 7.14353  Sterimol/L: 14.6962 
 
 Surface and Volume Properties
  Accessible surface: 536.394  Positive charged surface: 387.796  Negative charged surface: 148.598  Volume: 271.125
  Hydrophobic surface: 466.832  Hydrophilic surface: 69.562
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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


MMs00742416
CHEMBRIDGE-ZINC02933126