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ENAMINE-ZINC03331519

 MMsINC code: MMs01377044
Type: Neutral
Formula: C18H19Cl2N3O5S
SMILES:   Clc1cc(Cl)ccc1OCCCC(=O)NNC(=O)c1cc(S(=O)(=O)NC)ccc1
InChI:   InChI=1/C18H19Cl2N3O5S/c1-21-29(26,27)14-5-2-4-12(10-14)18(25)23-22-17(24)6-3-9-28-16-8-7-13(19)11-15(16)20/h2,4-5,7-8,10-11,21H,3,6,9H2,1H3,(H,22,24)(H,23,25)

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Potential Energy
Epot(MMFF94)=64.3656 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 460.338 g/mol  logS: -5.05047  SlogP: 2.5217  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0140113  Sterimol/B1: 2.35097  Sterimol/B2: 2.41479  Sterimol/B3: 4.74778
  Sterimol/B4: 7.06831  Sterimol/L: 23.8483 
 
 Surface and Volume Properties
  Accessible surface: 738.617  Positive charged surface: 373.604  Negative charged surface: 365.012  Volume: 380.375
  Hydrophobic surface: 543.661  Hydrophilic surface: 194.956
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.