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MDPI-ZINC03844572

 MMsINC code: MMs02177836
Type: Neutral
Formula: C15H7NO5
SMILES:   O=C1c2c(ccc(C(O)=O)c2N=O)C(=O)c2c1cccc2
InChI:   InChI=1/C15H7NO5/c17-13-7-3-1-2-4-8(7)14(18)11-9(13)5-6-10(15(19)20)12(11)16-21/h1-6H,(H,19,20)

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Potential Energy
Epot(MMFF94)=73.3034 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 281.223 g/mol  logS: -4.31134  SlogP: 2.5581  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00478778  Sterimol/B1: 2.26895  Sterimol/B2: 2.59306  Sterimol/B3: 4.23939
  Sterimol/B4: 4.69329  Sterimol/L: 14.549 
 
 Surface and Volume Properties
  Accessible surface: 438.284  Positive charged surface: 206.755  Negative charged surface: 231.53  Volume: 231.875
  Hydrophobic surface: 277.117  Hydrophilic surface: 161.167
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 6  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


MMs02177837
MDPI-ZINC03844572