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NCID-ZINC01560373

 MMsINC code: MMs02222818
Type: Neutral
Formula: C15H12N2O3S
SMILES:   S=C(Nc1ccccc1C(O)=O)NC(=O)c1ccccc1
InChI:   InChI=1/C15H12N2O3S/c18-13(10-6-2-1-3-7-10)17-15(21)16-12-9-5-4-8-11(12)14(19)20/h1-9H,(H,19,20)(H2,16,17,18,21)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=123.183 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 300.338 g/mol  logS: -4.78776  SlogP: 2.5116  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0226726  Sterimol/B1: 2.65671  Sterimol/B2: 3.03946  Sterimol/B3: 4.67043
  Sterimol/B4: 4.96084  Sterimol/L: 16.2459 
 
 Surface and Volume Properties
  Accessible surface: 513.783  Positive charged surface: 264.856  Negative charged surface: 248.927  Volume: 267.875
  Hydrophobic surface: 332.315  Hydrophilic surface: 181.468
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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


MMs02222819
NCID-ZINC01560373