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CHEMBRIDGE-ZINC03864596

 MMsINC code: MMs00755032
Type: Neutral
Formula: C10H7NO3S2
SMILES:   S1CC(=O)N(c2ccc(cc2)C(O)=O)C1=S
InChI:   InChI=1/C10H7NO3S2/c12-8-5-16-10(15)11(8)7-3-1-6(2-4-7)9(13)14/h1-4H,5H2,(H,13,14)

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Potential Energy
Epot(MMFF94)=55.4893 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 253.302 g/mol  logS: -4.28765  SlogP: 1.7495  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0979755  Sterimol/B1: 2.43872  Sterimol/B2: 3.6673  Sterimol/B3: 4.89882
  Sterimol/B4: 5.33475  Sterimol/L: 13.1201 
 
 Surface and Volume Properties
  Accessible surface: 427.305  Positive charged surface: 192.601  Negative charged surface: 234.704  Volume: 205.875
  Hydrophobic surface: 176.458  Hydrophilic surface: 250.847
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs00755033
CHEMBRIDGE-ZINC03864596