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ENAMINE-ZINC03325320

 MMsINC code: MMs01372761
Type: Ionized
Formula: C15H11Cl3NO4S-
SMILES:   Clc1ccccc1C(NS(=O)(=O)c1cc(Cl)cc(Cl)c1)CC(=O)[O-]
InChI:   InChI=1/C15H12Cl3NO4S/c16-9-5-10(17)7-11(6-9)24(22,23)19-14(8-15(20)21)12-3-1-2-4-13(12)18/h1-7,14,19H,8H2,(H,20,21)/p-1/t14-/m1/s1

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Potential Energy
Epot(MMFF94)=-10.9301 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 407.681 g/mol  logS: -5.33184  SlogP: 2.9019  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.179323  Sterimol/B1: 4.0893  Sterimol/B2: 4.77724  Sterimol/B3: 5.25998
  Sterimol/B4: 5.69301  Sterimol/L: 14.7292 
 
 Surface and Volume Properties
  Accessible surface: 552.518  Positive charged surface: 170.206  Negative charged surface: 382.311  Volume: 316.125
  Hydrophobic surface: 414.679  Hydrophilic surface: 137.839
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 2  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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Parent related molecule:


MMs01372760
ENAMINE-ZINC03325320