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NCID-ZINC06003994

 MMsINC code: MMs02515200
Type: Ionized
Formula: C10H7Cl2N6O3S3-
SMILES:   Clc1cc(NC(=O)NC(=S)Nc2sc(S(=O)([O-])=[NH])nn2)ccc1Cl
InChI:   InChI=1/C10H8Cl2N6O3S3/c11-5-2-1-4(3-6(5)12)14-7(19)15-8(22)16-9-17-18-10(23-9)24(13,20)21/h1-3H,(H5,13,14,15,16,17,19,20,21,22)/p-1

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Drug Similarity  
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Potential Energy
Epot(MMFF94)=31.7384 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 426.309 g/mol  logS: -6.97507  SlogP: 2.335  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00854023  Sterimol/B1: 3.22031  Sterimol/B2: 3.45931  Sterimol/B3: 3.67325
  Sterimol/B4: 5.87463  Sterimol/L: 20.8824 
 
 Surface and Volume Properties
  Accessible surface: 596.074  Positive charged surface: 171.53  Negative charged surface: 424.544  Volume: 303
  Hydrophobic surface: 295.164  Hydrophilic surface: 300.91
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 3  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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Parent related molecule:


MMs02515199
NCID-ZINC06003994