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PUBCHEM-ZINC03617484

 MMsINC code: MMs03023502
Type: Neutral
Formula: C14H29NO2
SMILES:   O(C(=O)C(CCC)CCC)CCN(CC)CC
InChI:   InChI=1/C14H29NO2/c1-5-9-13(10-6-2)14(16)17-12-11-15(7-3)8-4/h13H,5-12H2,1-4H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=34.6954 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 243.391 g/mol  logS: -3.0228  SlogP: 3.0878  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.137384  Sterimol/B1: 4.19292  Sterimol/B2: 4.32151  Sterimol/B3: 4.55208
  Sterimol/B4: 5.4627  Sterimol/L: 14.6018 
 
 Surface and Volume Properties
  Accessible surface: 516.397  Positive charged surface: 397.013  Negative charged surface: 119.384  Volume: 281
  Hydrophobic surface: 400.936  Hydrophilic surface: 115.461
 
 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


MMs03023503
PUBCHEM-ZINC03617484