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NCID-ZINC01597072

 MMsINC code: MMs02251018
Type: Neutral
Formula: C10H10N2O3
SMILES:   O1NC(=O)C(\N=C\c2ccccc2O)C1
InChI:   InChI=1/C10H10N2O3/c13-9-4-2-1-3-7(9)5-11-8-6-15-12-10(8)14/h1-5,8,13H,6H2,(H,12,14)/b11-5+/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=69.7876 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 206.201 g/mol  logS: -1.69978  SlogP: 0.2411  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0787935  Sterimol/B1: 3.03176  Sterimol/B2: 3.67629  Sterimol/B3: 3.95638
  Sterimol/B4: 4.76542  Sterimol/L: 12.3868 
 
 Surface and Volume Properties
  Accessible surface: 409.938  Positive charged surface: 256.01  Negative charged surface: 153.928  Volume: 187.625
  Hydrophobic surface: 252.05  Hydrophilic surface: 157.888
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  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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Ions/Tautomers related molecules: no related molecules available.