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PUBCHEM-ZINC06655642

 MMsINC code: MMs03835363
Type: Neutral
Formula: C10H12N2O3
SMILES:   O(CC)C(=O)N(O)C(=N)c1ccccc1
InChI:   InChI=1/C10H12N2O3/c1-2-15-10(13)12(14)9(11)8-6-4-3-5-7-8/h3-7,11,14H,2H2,1H3/b11-9-

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Potential Energy
Epot(MMFF94)=79.1889 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 208.217 g/mol  logS: -2.3265  SlogP: 1.85967  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0273673  Sterimol/B1: 2.79904  Sterimol/B2: 3.11979  Sterimol/B3: 3.36643
  Sterimol/B4: 4.9882  Sterimol/L: 14.4111 
 
 Surface and Volume Properties
  Accessible surface: 422.207  Positive charged surface: 256.665  Negative charged surface: 165.542  Volume: 195.5
  Hydrophobic surface: 286.077  Hydrophilic surface: 136.13
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.