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ENAMINE-ZINC04475612

 MMsINC code: MMs01540075
Type: Neutral
Formula: C14H23N3O5
SMILES:   O=C1N(CC(=O)NC(OCC)=O)C(=O)NC1(CCC)CCC
InChI:   InChI=1/C14H23N3O5/c1-4-7-14(8-5-2)11(19)17(12(20)16-14)9-10(18)15-13(21)22-6-3/h4-9H2,1-3H3,(H,16,20)(H,15,18,21)

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Potential Energy
Epot(MMFF94)=3.42354 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 313.354 g/mol  logS: -3.0868  SlogP: 1.1499  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0506831  Sterimol/B1: 1.97526  Sterimol/B2: 3.4477  Sterimol/B3: 4.49237
  Sterimol/B4: 8.8416  Sterimol/L: 17.5941 
 
 Surface and Volume Properties
  Accessible surface: 577.911  Positive charged surface: 403.986  Negative charged surface: 173.925  Volume: 294.5
  Hydrophobic surface: 341.343  Hydrophilic surface: 236.568
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.