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MDPI-ZINC03844572

 MMsINC code: MMs02177837
Type: Ionized
Formula: C15H6NO5-
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)/p-1

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Potential Energy
Epot(MMFF94)=64.9189 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 280.215 g/mol  logS: -4.57179  SlogP: 1.2234  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0134336  Sterimol/B1: 2.82609  Sterimol/B2: 2.93988  Sterimol/B3: 4.12387
  Sterimol/B4: 4.85022  Sterimol/L: 13.9762 
 
 Surface and Volume Properties
  Accessible surface: 437.935  Positive charged surface: 168.8  Negative charged surface: 269.135  Volume: 230.375
  Hydrophobic surface: 285.919  Hydrophilic surface: 152.016
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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:


MMs02177836
MDPI-ZINC03844572