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MAYBRIDGE-ZINC01031690

 MMsINC code: MMs02149636
Type: Neutral
Formula: C19H13Cl2N3O3S
SMILES:   Clc1ccc(cc1)-c1noc(C)c1-c1n(S(=O)(=O)c2ccc(Cl)cc2)ncc1
InChI:   InChI=1/C19H13Cl2N3O3S/c1-12-18(19(23-27-12)13-2-4-14(20)5-3-13)17-10-11-22-24(17)28(25,26)16-8-6-15(21)7-9-16/h2-11H,1H3

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Potential Energy
Epot(MMFF94)=129.405 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 434.303 g/mol  logS: -6.98056  SlogP: 5.05732  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.363116  Sterimol/B1: 2.60494  Sterimol/B2: 5.14747  Sterimol/B3: 5.5066
  Sterimol/B4: 6.71535  Sterimol/L: 13.9172 
 
 Surface and Volume Properties
  Accessible surface: 581.563  Positive charged surface: 236.011  Negative charged surface: 345.552  Volume: 358.75
  Hydrophobic surface: 497.981  Hydrophilic surface: 83.582
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.