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ENAMINE-ZINC03285538

 MMsINC code: MMs01350377
Type: Neutral
Formula: C18H14Cl2N4O4S2
SMILES:   Clc1cc(Cl)ccc1C(=O)NCC(=O)Nc1ccc(S(=O)(=O)Nc2sccn2)cc1
InChI:   InChI=1/C18H14Cl2N4O4S2/c19-11-1-6-14(15(20)9-11)17(26)22-10-16(25)23-12-2-4-13(5-3-12)30(27,28)24-18-21-7-8-29-18/h1-9H,10H2,(H,21,24)(H,22,26)(H,23,25)

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Potential Energy
Epot(MMFF94)=80.2255 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 485.372 g/mol  logS: -6.12923  SlogP: 3.6192  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0234824  Sterimol/B1: 3.44238  Sterimol/B2: 3.88537  Sterimol/B3: 4.5227
  Sterimol/B4: 5.50985  Sterimol/L: 21.4979 
 
 Surface and Volume Properties
  Accessible surface: 692.654  Positive charged surface: 314.525  Negative charged surface: 378.129  Volume: 380.75
  Hydrophobic surface: 498.939  Hydrophilic surface: 193.715
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  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.