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ENAMINE-ZINC03546075

 MMsINC code: MMs01500879
Type: Neutral
Formula: C13H19N3O4
SMILES:   O=C1N(C2CCCC2)C(=O)N(CC(=O)NCCC)C1=O
InChI:   InChI=1/C13H19N3O4/c1-2-7-14-10(17)8-15-11(18)12(19)16(13(15)20)9-5-3-4-6-9/h9H,2-8H2,1H3,(H,14,17)

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Potential Energy
Epot(MMFF94)=11.3042 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 281.312 g/mol  logS: -1.97328  SlogP: 0.246  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0532031  Sterimol/B1: 2.67355  Sterimol/B2: 3.73311  Sterimol/B3: 4.0411
  Sterimol/B4: 5.08271  Sterimol/L: 17.1209 
 
 Surface and Volume Properties
  Accessible surface: 519.875  Positive charged surface: 354.28  Negative charged surface: 165.595  Volume: 258.5
  Hydrophobic surface: 343.223  Hydrophilic surface: 176.652
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.