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PUBCHEM-ZINC05513600

 MMsINC code: MMs03293405
Type: Ionized
Formula: C10H18N3O4-
SMILES:   O=C(NCC(=O)[O-])CCCN(N=O)CCCC
InChI:   InChI=1/C10H19N3O4/c1-2-3-6-13(12-17)7-4-5-9(14)11-8-10(15)16/h2-8H2,1H3,(H,11,14)(H,15,16)/p-1

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Potential Energy
Epot(MMFF94)=16.5126 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 244.271 g/mol  logS: -1.34758  SlogP: -0.5838  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0402544  Sterimol/B1: 2.48636  Sterimol/B2: 3.16039  Sterimol/B3: 3.36253
  Sterimol/B4: 6.09152  Sterimol/L: 17.5769 
 
 Surface and Volume Properties
  Accessible surface: 505.899  Positive charged surface: 315.543  Negative charged surface: 190.356  Volume: 233.25
  Hydrophobic surface: 339.631  Hydrophilic surface: 166.268
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 2  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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Parent related molecule:


MMs03293404
PUBCHEM-ZINC05513600