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ASINEX-ZINC03068311

 MMsINC code: MMs00285306
Type: Neutral
Formula: C17H27NO2
SMILES:   O(CCCC)c1ccc(cc1)C(=O)CCN(CC)CC
InChI:   InChI=1/C17H27NO2/c1-4-7-14-20-16-10-8-15(9-11-16)17(19)12-13-18(5-2)6-3/h8-11H,4-7,12-14H2,1-3H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=49.305 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 277.408 g/mol  logS: -3.2186  SlogP: 3.7801  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0299626  Sterimol/B1: 3.55277  Sterimol/B2: 3.67638  Sterimol/B3: 3.82585
  Sterimol/B4: 6.29233  Sterimol/L: 19.0805 
 
 Surface and Volume Properties
  Accessible surface: 603.959  Positive charged surface: 434.218  Negative charged surface: 169.741  Volume: 305.625
  Hydrophobic surface: 495.534  Hydrophilic surface: 108.425
 
 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


MMs00285307
ASINEX-ZINC03068311