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PUBCHEM-ZINC04699505

 MMsINC code: MMs03159477
Type: Ionized
Formula: C19H12NO5S-
SMILES:   S1\C(=C\c2ccc(cc2)C(=O)[O-])\C(=O)N(CC(=O)c2ccccc2)C1=O
InChI:   InChI=1/C19H13NO5S/c21-15(13-4-2-1-3-5-13)11-20-17(22)16(26-19(20)25)10-12-6-8-14(9-7-12)18(23)24/h1-10H,11H2,(H,23,24)/p-1/b16-10-

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Potential Energy
Epot(MMFF94)=47.2531 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 366.373 g/mol  logS: -5.31377  SlogP: 1.9693  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0355652  Sterimol/B1: 3.34267  Sterimol/B2: 3.61144  Sterimol/B3: 4.03946
  Sterimol/B4: 4.90892  Sterimol/L: 19.915 
 
 Surface and Volume Properties
  Accessible surface: 594.478  Positive charged surface: 265.619  Negative charged surface: 328.858  Volume: 320.75
  Hydrophobic surface: 365.531  Hydrophilic surface: 228.947
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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:


MMs03159476
PUBCHEM-ZINC04699505