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CHEMDIV-ZINC00457034

 MMsINC code: MMs00853697
Type: Neutral
Formula: C9H14N2O4S2
SMILES:   S(=O)(=O)(N)c1ccc(cc1)CCNS(=O)(=O)C
InChI:   InChI=1/C9H14N2O4S2/c1-16(12,13)11-7-6-8-2-4-9(5-3-8)17(10,14)15/h2-5,11H,6-7H2,1H3,(H2,10,14,15)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-6.62494 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 278.353 g/mol  logS: -1.45498  SlogP: -0.57433  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0776965  Sterimol/B1: 2.51631  Sterimol/B2: 3.2461  Sterimol/B3: 4.16766
  Sterimol/B4: 5.04012  Sterimol/L: 15.4679 
 
 Surface and Volume Properties
  Accessible surface: 477.75  Positive charged surface: 246.654  Negative charged surface: 231.096  Volume: 228.875
  Hydrophobic surface: 250.375  Hydrophilic surface: 227.375
 
 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


MMs00853698
CHEMDIV-ZINC00457034