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ENAMINE-ZINC02435922

 MMsINC code: MMs01250966
Type: Neutral
Formula: C12H10Cl2N2O6S3
SMILES:   Clc1ccc(S(=O)(=O)c2cc(S(=O)(=O)N)c(Cl)cc2)cc1S(=O)(=O)N
InChI:   InChI=1/C12H10Cl2N2O6S3/c13-9-3-1-7(5-11(9)24(15,19)20)23(17,18)8-2-4-10(14)12(6-8)25(16,21)22/h1-6H,(H2,15,19,20)(H2,16,21,22)

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Potential Energy
Epot(MMFF94)=10.885 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 445.324 g/mol  logS: -5.27123  SlogP: 1.121  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.189704  Sterimol/B1: 2.98331  Sterimol/B2: 3.94688  Sterimol/B3: 4.92868
  Sterimol/B4: 6.82138  Sterimol/L: 15.2469 
 
 Surface and Volume Properties
  Accessible surface: 570.489  Positive charged surface: 190.519  Negative charged surface: 379.97  Volume: 307.5
  Hydrophobic surface: 271.491  Hydrophilic surface: 298.998
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs01250967
ENAMINE-ZINC02435922