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FDA-ZINC00057236

 MMsINC code: MMs01725067
Type: Neutral
Formula: C14H20ClN3O3S
SMILES:   Clc1ccc(cc1S(=O)(=O)N)C(=O)NN1C(CCCC1C)C
InChI:   InChI=1/C14H20ClN3O3S/c1-9-4-3-5-10(2)18(9)17-14(19)11-6-7-12(15)13(8-11)22(16,20)21/h6-10H,3-5H2,1-2H3,(H,17,19)(H2,16,20,21)/t9-,10-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=43.2841 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 345.851 g/mol  logS: -3.67335  SlogP: 1.8951  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0930401  Sterimol/B1: 2.29333  Sterimol/B2: 2.35152  Sterimol/B3: 5.31848
  Sterimol/B4: 6.01529  Sterimol/L: 15.798 
 
 Surface and Volume Properties
  Accessible surface: 547.281  Positive charged surface: 300.512  Negative charged surface: 246.769  Volume: 298.375
  Hydrophobic surface: 359.642  Hydrophilic surface: 187.639
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs01725068
FDA-ZINC00057236