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ENAMINE-ZINC03463308

 MMsINC code: MMs01458295
Type: Neutral
Formula: C14H22N2O4
SMILES:   O=C1N(CC(OCC)=O)C(=O)NC12CCCCCCC2
InChI:   InChI=1/C14H22N2O4/c1-2-20-11(17)10-16-12(18)14(15-13(16)19)8-6-4-3-5-7-9-14/h2-10H2,1H3,(H,15,19)

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Potential Energy
Epot(MMFF94)=82.7863 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 282.34 g/mol  logS: -3.27145  SlogP: 1.5844  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.115699  Sterimol/B1: 2.76046  Sterimol/B2: 3.9642  Sterimol/B3: 4.34958
  Sterimol/B4: 5.5352  Sterimol/L: 15.5435 
 
 Surface and Volume Properties
  Accessible surface: 506.197  Positive charged surface: 361.725  Negative charged surface: 144.472  Volume: 269.125
  Hydrophobic surface: 361.027  Hydrophilic surface: 145.17
 
 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: no related molecules available.