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ENAMINE-ZINC04515207

 MMsINC code: MMs01544870
Type: Neutral
Formula: C14H21N3O5
SMILES:   O=C1N(CC(=O)NC(OCC)=O)C(=O)NC12CCCCC2C
InChI:   InChI=1/C14H21N3O5/c1-3-22-13(21)15-10(18)8-17-11(19)14(16-12(17)20)7-5-4-6-9(14)2/h9H,3-8H2,1-2H3,(H,16,20)(H,15,18,21)/t9-,14-/m0/s1

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Potential Energy
Epot(MMFF94)=14.9968 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 311.338 g/mol  logS: -2.67131  SlogP: 0.7598  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0823656  Sterimol/B1: 3.19913  Sterimol/B2: 3.83457  Sterimol/B3: 4.31995
  Sterimol/B4: 4.80131  Sterimol/L: 16.5733 
 
 Surface and Volume Properties
  Accessible surface: 536.722  Positive charged surface: 387.562  Negative charged surface: 149.16  Volume: 279.875
  Hydrophobic surface: 330.504  Hydrophilic surface: 206.218
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.