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MDPI-ZINC04235339

 MMsINC code: MMs02184307
Type: Ionized
Formula: C10H9N2O3-
SMILES:   O=C([O-])Cc1cc2N\C(=N\O)\Cc2cc1
InChI:   InChI=1/C10H10N2O3/c13-10(14)4-6-1-2-7-5-9(12-15)11-8(7)3-6/h1-3,15H,4-5H2,(H,11,12)(H,13,14)/p-1

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Potential Energy
Epot(MMFF94)=48.9657 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 205.193 g/mol  logS: -1.87738  SlogP: -0.26536  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0460667  Sterimol/B1: 2.42629  Sterimol/B2: 3.09333  Sterimol/B3: 3.44544
  Sterimol/B4: 5.03554  Sterimol/L: 13.3172 
 
 Surface and Volume Properties
  Accessible surface: 395.524  Positive charged surface: 223.455  Negative charged surface: 172.068  Volume: 181.625
  Hydrophobic surface: 195.884  Hydrophilic surface: 199.64
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 2  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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Parent related molecule:


MMs02184306
MDPI-ZINC04235339