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ENAMINE-ZINC03307224

 MMsINC code: MMs01361887
Type: Neutral
Formula: C24H20ClN3O3S2
SMILES:   Clc1ccc(S(=O)(=O)N2Cc3c(CC2C(=O)Nc2sc4cc(ccc4n2)C)cccc3)cc1
InChI:   InChI=1/C24H20ClN3O3S2/c1-15-6-11-20-22(12-15)32-24(26-20)27-23(29)21-13-16-4-2-3-5-17(16)14-28(21)33(30,31)19-9-7-18(25)8-10-19/h2-12,21H,13-14H2,1H3,(H,26,27,29)/t21-/m0/s1

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Potential Energy
Epot(MMFF94)=107.138 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 498.027 g/mol  logS: -7.7417  SlogP: 5.27879  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0860447  Sterimol/B1: 4.27865  Sterimol/B2: 4.52889  Sterimol/B3: 5.13474
  Sterimol/B4: 7.88257  Sterimol/L: 19.3003 
 
 Surface and Volume Properties
  Accessible surface: 721.151  Positive charged surface: 351.951  Negative charged surface: 369.2  Volume: 427.125
  Hydrophobic surface: 629.915  Hydrophilic surface: 91.236
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.