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NANOSIN-ZINC04737496

 MMsINC code: MMs02209957
Type: Neutral
Formula: C11H10N2O4
SMILES:   o1nc(cc1)C\C(=N/O)\c1ccc(O)cc1O
InChI:   InChI=1/C11H10N2O4/c14-8-1-2-9(11(15)6-8)10(12-16)5-7-3-4-17-13-7/h1-4,6,14-16H,5H2/b12-10-

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Potential Energy
Epot(MMFF94)=82.5463 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 234.211 g/mol  logS: -1.40975  SlogP: 1.50677  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0875495  Sterimol/B1: 2.8367  Sterimol/B2: 2.84205  Sterimol/B3: 4.15272
  Sterimol/B4: 4.85192  Sterimol/L: 14.2964 
 
 Surface and Volume Properties
  Accessible surface: 443.375  Positive charged surface: 250.451  Negative charged surface: 192.924  Volume: 205.25
  Hydrophobic surface: 270.343  Hydrophilic surface: 173.032
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  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.