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ENAMINE-ZINC03369735

 MMsINC code: MMs01401032
Type: Neutral
Formula: C18H14Cl2N2O4S2
SMILES:   Clc1c2c(sc1C(=O)NNC(=O)CCS(=O)(=O)c1ccc(Cl)cc1)cccc2
InChI:   InChI=1/C18H14Cl2N2O4S2/c19-11-5-7-12(8-6-11)28(25,26)10-9-15(23)21-22-18(24)17-16(20)13-3-1-2-4-14(13)27-17/h1-8H,9-10H2,(H,21,23)(H,22,24)

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Potential Energy
Epot(MMFF94)=73.0613 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 457.358 g/mol  logS: -6.75438  SlogP: 3.8331  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0212088  Sterimol/B1: 3.61663  Sterimol/B2: 3.61962  Sterimol/B3: 4.38561
  Sterimol/B4: 5.42478  Sterimol/L: 22.4824 
 
 Surface and Volume Properties
  Accessible surface: 690.766  Positive charged surface: 273.234  Negative charged surface: 411.996  Volume: 370.375
  Hydrophobic surface: 535.075  Hydrophilic surface: 155.691
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.