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NCID-ZINC04429569

 MMsINC code: MMs02387557
Type: Neutral
Formula: C6H4Cl2N4O2S
SMILES:   Clc1nc(S(=O)(=O)C)nc2[nH]c(Cl)nc12
InChI:   InChI=1/C6H4Cl2N4O2S/c1-15(13,14)6-10-3(7)2-4(12-6)11-5(8)9-2/h1H3,(H,9,10,11,12)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=66.0548 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 267.096 g/mol  logS: -4.59595  SlogP: 1.0632  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0797475  Sterimol/B1: 2.09861  Sterimol/B2: 3.085  Sterimol/B3: 4.1939
  Sterimol/B4: 5.98813  Sterimol/L: 12.979 
 
 Surface and Volume Properties
  Accessible surface: 409.997  Positive charged surface: 143.199  Negative charged surface: 266.798  Volume: 183.375
  Hydrophobic surface: 244.442  Hydrophilic surface: 165.555
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 6  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: no related molecules available.