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PUBCHEM-ZINC05201094

 MMsINC code: MMs03223627
Type: Ionized
Formula: C18H12NO3S2-
SMILES:   S1\C(=C/c2ccc(cc2)C(=O)[O-])\C(=O)N(Cc2ccccc2)C1=S
InChI:   InChI=1/C18H13NO3S2/c20-16-15(10-12-6-8-14(9-7-12)17(21)22)24-18(23)19(16)11-13-4-2-1-3-5-13/h1-10H,11H2,(H,21,22)/p-1/b15-10+

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Potential Energy
Epot(MMFF94)=49.6163 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 354.43 g/mol  logS: -6.2357  SlogP: 2.7179  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0453639  Sterimol/B1: 2.72293  Sterimol/B2: 2.77785  Sterimol/B3: 4.35579
  Sterimol/B4: 8.1124  Sterimol/L: 16.7375 
 
 Surface and Volume Properties
  Accessible surface: 569.016  Positive charged surface: 240.612  Negative charged surface: 328.404  Volume: 316.375
  Hydrophobic surface: 344.979  Hydrophilic surface: 224.037
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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:


MMs03223626
PUBCHEM-ZINC05201094