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PUBCHEM-ZINC05631670

 MMsINC code: MMs03329580
Type: Ionized
Formula: C10H16N3O5-
SMILES:   O=C(\C=C(\O)/NC(CCCNC(=O)N)C(=O)[O-])C
InChI:   InChI=1/C10H17N3O5/c1-6(14)5-8(15)13-7(9(16)17)3-2-4-12-10(11)18/h5,7,13,15H,2-4H2,1H3,(H,16,17)(H3,11,12,18)/p-1/b8-5+/t7-/m0/s1

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Potential Energy
Epot(MMFF94)=-29.6812 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 258.254 g/mol  logS: -0.71166  SlogP: -1.8686  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0614695  Sterimol/B1: 2.31387  Sterimol/B2: 2.59734  Sterimol/B3: 3.34912
  Sterimol/B4: 9.02269  Sterimol/L: 13.5156 
 
 Surface and Volume Properties
  Accessible surface: 488.567  Positive charged surface: 304.644  Negative charged surface: 183.923  Volume: 231.25
  Hydrophobic surface: 223.875  Hydrophilic surface: 264.692
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 3  Acid groups: 2  Basic groups: 0
  Chiral centers: 1
 
 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:


MMs03329575
PUBCHEM-ZINC05631670