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NCID-ZINC01857354

 MMsINC code: MMs02372483
Type: Neutral
Formula: C10H19N3O4
SMILES:   O=C(N)CCC([N+](=O)[O-])(CCC(=O)N)CCC
InChI:   InChI=1/C10H19N3O4/c1-2-5-10(13(16)17,6-3-8(11)14)7-4-9(12)15/h2-7H2,1H3,(H2,11,14)(H2,12,15)

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Potential Energy
Epot(MMFF94)=38.2837 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 245.279 g/mol  logS: -2.11995  SlogP: 0.333  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.135859  Sterimol/B1: 2.16825  Sterimol/B2: 3.58944  Sterimol/B3: 4.16932
  Sterimol/B4: 7.68046  Sterimol/L: 14.1005 
 
 Surface and Volume Properties
  Accessible surface: 455.571  Positive charged surface: 282.15  Negative charged surface: 173.421  Volume: 225.625
  Hydrophobic surface: 157.557  Hydrophilic surface: 298.014
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.