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FDA-ZINC00897232

 MMsINC code: MMs01725351
Type: Neutral
Formula: C9H11Cl2N3O4S2
SMILES:   Clc1cc2NC(N(S(=O)(=O)c2cc1S(=O)(=O)N)C)CCl
InChI:   InChI=1/C9H11Cl2N3O4S2/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,(H2,12,15,16)/t9-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-3.40346 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 360.242 g/mol  logS: -2.85065  SlogP: 0.5983  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.120964  Sterimol/B1: 2.57167  Sterimol/B2: 3.1935  Sterimol/B3: 4.4572
  Sterimol/B4: 6.32212  Sterimol/L: 13.1009 
 
 Surface and Volume Properties
  Accessible surface: 486.777  Positive charged surface: 219.923  Negative charged surface: 266.854  Volume: 256.75
  Hydrophobic surface: 225.593  Hydrophilic surface: 261.184
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs01725352
FDA-ZINC00897232