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ENAMINE-ZINC03366712

 MMsINC code: MMs01399064
Type: Neutral
Formula: C17H17Cl2N3O5S
SMILES:   Clc1cc(Cl)cnc1NC(=O)C(OC(=O)CNS(=O)(=O)c1ccc(cc1)C)C
InChI:   InChI=1/C17H17Cl2N3O5S/c1-10-3-5-13(6-4-10)28(25,26)21-9-15(23)27-11(2)17(24)22-16-14(19)7-12(18)8-20-16/h3-8,11,21H,9H2,1-2H3,(H,20,22,24)/t11-/m1/s1

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Potential Energy
Epot(MMFF94)=62.3733 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 446.311 g/mol  logS: -4.95029  SlogP: 2.54552  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0400368  Sterimol/B1: 2.95202  Sterimol/B2: 3.39796  Sterimol/B3: 3.6964
  Sterimol/B4: 8.26408  Sterimol/L: 19.0549 
 
 Surface and Volume Properties
  Accessible surface: 698.948  Positive charged surface: 333.582  Negative charged surface: 365.366  Volume: 363.125
  Hydrophobic surface: 509.434  Hydrophilic surface: 189.514
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.