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ENAMINE-ZINC02632046

 MMsINC code: MMs01262974
Type: Neutral
Formula: C17H17Cl2N3O5S
SMILES:   Clc1cc(Cl)c(nc1C)NC(=O)COC(=O)c1ccc(S(=O)(=O)N(C)C)cc1
InChI:   InChI=1/C17H17Cl2N3O5S/c1-10-13(18)8-14(19)16(20-10)21-15(23)9-27-17(24)11-4-6-12(7-5-11)28(25,26)22(2)3/h4-8H,9H2,1-3H3,(H,20,21,23)

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Potential Energy
Epot(MMFF94)=78.3893 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 446.311 g/mol  logS: -4.51169  SlogP: 2.74262  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0233958  Sterimol/B1: 2.11819  Sterimol/B2: 3.35877  Sterimol/B3: 3.7479
  Sterimol/B4: 8.0315  Sterimol/L: 20.1441 
 
 Surface and Volume Properties
  Accessible surface: 683.607  Positive charged surface: 367.115  Negative charged surface: 316.491  Volume: 364.5
  Hydrophobic surface: 535.777  Hydrophilic surface: 147.83
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.