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FDA-ZINC00897236

 MMsINC code: MMs01725355
Type: Neutral
Formula: C8H8Cl3N3O4S2
SMILES:   Clc1cc2NC(NS(=O)(=O)c2cc1S(=O)(=O)N)C(Cl)Cl
InChI:   InChI=1/C8H8Cl3N3O4S2/c9-3-1-4-6(2-5(3)19(12,15)16)20(17,18)14-8(13-4)7(10)11/h1-2,7-8,13-14H,(H2,12,15,16)/t8-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-8.96125 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 380.66 g/mol  logS: -3.42108  SlogP: 1.2409  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.1251  Sterimol/B1: 2.48097  Sterimol/B2: 2.795  Sterimol/B3: 4.54678
  Sterimol/B4: 6.24405  Sterimol/L: 13.0878 
 
 Surface and Volume Properties
  Accessible surface: 480.279  Positive charged surface: 157.496  Negative charged surface: 322.783  Volume: 252.25
  Hydrophobic surface: 134.357  Hydrophilic surface: 345.922
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  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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Ions/Tautomers related molecules


MMs01725356
FDA-ZINC00897236