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NCID-ZINC01592444

 MMsINC code: MMs02246959
Type: Neutral
Formula: C10H13N3O3
SMILES:   O(C(=O)c1ccc(N=NN(CO)C)cc1)C
InChI:   InChI=1/C10H13N3O3/c1-13(7-14)12-11-9-5-3-8(4-6-9)10(15)16-2/h3-6,14H,7H2,1-2H3/b12-11+

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Potential Energy
Epot(MMFF94)=49.6359 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 223.232 g/mol  logS: -1.11138  SlogP: 1.3535  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0149229  Sterimol/B1: 2.48819  Sterimol/B2: 2.89323  Sterimol/B3: 3.03992
  Sterimol/B4: 5.0992  Sterimol/L: 14.9631 
 
 Surface and Volume Properties
  Accessible surface: 468.471  Positive charged surface: 340.381  Negative charged surface: 128.091  Volume: 210.25
  Hydrophobic surface: 363.109  Hydrophilic surface: 105.362
 
 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.