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ENAMINE-ZINC02654212

 MMsINC code: MMs01277596
Type: Neutral
Formula: C16H15Cl2N3O5S
SMILES:   Clc1c(C)c(Cl)cnc1NC(=O)COC(=O)c1cc(S(=O)(=O)NC)ccc1
InChI:   InChI=1/C16H15Cl2N3O5S/c1-9-12(17)7-20-15(14(9)18)21-13(22)8-26-16(23)10-4-3-5-11(6-10)27(24,25)19-2/h3-7,19H,8H2,1-2H3,(H,20,21,22)

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Potential Energy
Epot(MMFF94)=63.5366 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 432.284 g/mol  logS: -4.28319  SlogP: 2.40042  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0203227  Sterimol/B1: 3.49987  Sterimol/B2: 3.70344  Sterimol/B3: 3.75009
  Sterimol/B4: 5.85506  Sterimol/L: 19.724 
 
 Surface and Volume Properties
  Accessible surface: 655.076  Positive charged surface: 348.754  Negative charged surface: 306.322  Volume: 346.375
  Hydrophobic surface: 469.182  Hydrophilic surface: 185.894
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.