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ENAMINE-ZINC03569912

 MMsINC code: MMs01513323
Type: Neutral
Formula: C16H16Cl2N2O4S
SMILES:   Clc1cc(Cl)ccc1CCNC(=O)c1cc(S(=O)(=O)N)ccc1OC
InChI:   InChI=1/C16H16Cl2N2O4S/c1-24-15-5-4-12(25(19,22)23)9-13(15)16(21)20-7-6-10-2-3-11(17)8-14(10)18/h2-5,8-9H,6-7H2,1H3,(H,20,21)(H2,19,22,23)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=49.5457 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 403.286 g/mol  logS: -5.10595  SlogP: 2.62187  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0551129  Sterimol/B1: 2.49046  Sterimol/B2: 3.7718  Sterimol/B3: 4.54804
  Sterimol/B4: 9.48338  Sterimol/L: 17.7576 
 
 Surface and Volume Properties
  Accessible surface: 633.414  Positive charged surface: 317.111  Negative charged surface: 316.303  Volume: 332.625
  Hydrophobic surface: 459.587  Hydrophilic surface: 173.827
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs01513324
ENAMINE-ZINC03569912