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MDPI-ZINC03847708

 MMsINC code: MMs02181219
Type: Neutral
Formula: C14H26N2O2
SMILES:   O=C(NC1CCCCC(NC(=O)C)CCCC1)C
InChI:   InChI=1/C14H26N2O2/c1-11(17)15-13-7-3-5-9-14(16-12(2)18)10-6-4-8-13/h13-14H,3-10H2,1-2H3,(H,15,17)(H,16,18)/t13-,14+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=109.68 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 254.374 g/mol  logS: -1.7134  SlogP: 2.1302  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.24101  Sterimol/B1: 1.969  Sterimol/B2: 4.48634  Sterimol/B3: 4.74114
  Sterimol/B4: 6.32984  Sterimol/L: 13.9818 
 
 Surface and Volume Properties
  Accessible surface: 484.876  Positive charged surface: 324.945  Negative charged surface: 159.932  Volume: 269.625
  Hydrophobic surface: 405.473  Hydrophilic surface: 79.403
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: no related molecules available.