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ENAMINE-ZINC03371737

 MMsINC code: MMs01402258
Type: Neutral
Formula: C13H20N4O5
SMILES:   O=C1N(CCCC)C(=O)N(CC(=O)NC(=O)NCCC)C1=O
InChI:   InChI=1/C13H20N4O5/c1-3-5-7-16-10(19)11(20)17(13(16)22)8-9(18)15-12(21)14-6-4-2/h3-8H2,1-2H3,(H2,14,15,18,21)

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Potential Energy
Epot(MMFF94)=-18.0288 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 312.326 g/mol  logS: -2.29009  SlogP: -0.1869  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0345047  Sterimol/B1: 2.66832  Sterimol/B2: 2.67903  Sterimol/B3: 4.23265
  Sterimol/B4: 6.05037  Sterimol/L: 20.5752 
 
 Surface and Volume Properties
  Accessible surface: 588.481  Positive charged surface: 397.97  Negative charged surface: 190.511  Volume: 284.125
  Hydrophobic surface: 320.967  Hydrophilic surface: 267.514
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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.