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PUBCHEM-ZINC06185516

 MMsINC code: MMs03586529
Type: Neutral
Formula: C10H11N3O4
SMILES:   O=C1NC(=O)N(C2C1=CC=C2)CC(N)C(O)=O
InChI:   InChI=1/C10H11N3O4/c11-6(9(15)16)4-13-7-3-1-2-5(7)8(14)12-10(13)17/h1-3,6-7H,4,11H2,(H,15,16)(H,12,14,17)/t6-,7+/m0/s1

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Potential Energy
Epot(MMFF94)=18.2099 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 237.215 g/mol  logS: -0.89176  SlogP: -1.1851  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0796021  Sterimol/B1: 2.49728  Sterimol/B2: 2.87009  Sterimol/B3: 3.27093
  Sterimol/B4: 6.72631  Sterimol/L: 11.7891 
 
 Surface and Volume Properties
  Accessible surface: 406.671  Positive charged surface: 229.03  Negative charged surface: 177.64  Volume: 201.75
  Hydrophobic surface: 151.29  Hydrophilic surface: 255.381
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.