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PUBCHEM-ZINC05568776

 MMsINC code: MMs03309370
Type: Neutral
Formula: C10H15N3O4
SMILES:   O=C1N(CCCC)C(=O)N(CC(=O)NC)C1=O
InChI:   InChI=1/C10H15N3O4/c1-3-4-5-12-8(15)9(16)13(10(12)17)6-7(14)11-2/h3-6H2,1-2H3,(H,11,14)

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Potential Energy
Epot(MMFF94)=-8.33162 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 241.247 g/mol  logS: -1.53258  SlogP: -0.6767  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0627865  Sterimol/B1: 2.44045  Sterimol/B2: 2.67877  Sterimol/B3: 3.90639
  Sterimol/B4: 5.3082  Sterimol/L: 15.9797 
 
 Surface and Volume Properties
  Accessible surface: 469.51  Positive charged surface: 326.885  Negative charged surface: 142.624  Volume: 218.875
  Hydrophobic surface: 272.34  Hydrophilic surface: 197.17
 
 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.