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CHEMBRIDGE-ZINC04723255

 MMsINC code: MMs00779766
Type: Neutral
Formula: C17H24N2O2
SMILES:   O(C)c1ccc(cc1)C(=O)N1CCC(N2CCCC2)CC1
InChI:   InChI=1/C17H24N2O2/c1-21-16-6-4-14(5-7-16)17(20)19-12-8-15(9-13-19)18-10-2-3-11-18/h4-7,15H,2-3,8-13H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=81.1091 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 288.391 g/mol  logS: -2.47805  SlogP: 2.3956  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0569365  Sterimol/B1: 2.57353  Sterimol/B2: 2.66483  Sterimol/B3: 4.18805
  Sterimol/B4: 6.03338  Sterimol/L: 17.4213 
 
 Surface and Volume Properties
  Accessible surface: 545.394  Positive charged surface: 419.498  Negative charged surface: 125.895  Volume: 295.75
  Hydrophobic surface: 497.991  Hydrophilic surface: 47.403
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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


MMs00779767
CHEMBRIDGE-ZINC04723255