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FDA-ZINC00897232

 MMsINC code: MMs01725352
Type: Ionized
Formula: C9H10Cl2N3O4S2-
SMILES:   Clc1cc2NC(N(S(=O)(=O)c2cc1S(=O)([O-])=[NH])C)CCl
InChI:   InChI=1/C9H10Cl2N3O4S2/c1-14-9(4-10)13-6-2-5(11)7(19(12,15)16)3-8(6)20(14,17)18/h2-3,9,13H,4H2,1H3,(H-,12,15,16)/q-1/t9-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=7.61538 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 359.234 g/mol  logS: -2.87504  SlogP: 0.9225  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0877989  Sterimol/B1: 2.36426  Sterimol/B2: 3.16562  Sterimol/B3: 4.23226
  Sterimol/B4: 6.21003  Sterimol/L: 12.8949 
 
 Surface and Volume Properties
  Accessible surface: 481.163  Positive charged surface: 171.993  Negative charged surface: 309.17  Volume: 256.875
  Hydrophobic surface: 237.986  Hydrophilic surface: 243.177
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 3  Basic groups: 0
  Chiral centers: 1
 
 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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MMs01725351
FDA-ZINC00897232