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CHEMBRIDGE-ZINC03003261

 MMsINC code: MMs00751176
Type: Neutral
Formula: C16H27NO2
SMILES:   O(CCNCCOC)c1c(cccc1C)C(C)(C)C
InChI:   InChI=1/C16H27NO2/c1-13-7-6-8-14(16(2,3)4)15(13)19-12-10-17-9-11-18-5/h6-8,17H,9-12H2,1-5H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=93.4856 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 265.397 g/mol  logS: -3.21144  SlogP: 2.90732  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.087275  Sterimol/B1: 2.71515  Sterimol/B2: 3.46676  Sterimol/B3: 4.08415
  Sterimol/B4: 7.2568  Sterimol/L: 14.9804 
 
 Surface and Volume Properties
  Accessible surface: 545.071  Positive charged surface: 420.928  Negative charged surface: 124.143  Volume: 294.25
  Hydrophobic surface: 485.347  Hydrophilic surface: 59.724
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs00751177
CHEMBRIDGE-ZINC03003261