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ENAMINE-ZINC03315009

 MMsINC code: MMs01366350
Type: Neutral
Formula: C20H23Cl2N3O4S
SMILES:   Clc1cc(N(S(=O)(=O)C)CC(=O)Nc2ccccc2C(=O)NCC(C)C)cc(Cl)c1
InChI:   InChI=1/C20H23Cl2N3O4S/c1-13(2)11-23-20(27)17-6-4-5-7-18(17)24-19(26)12-25(30(3,28)29)16-9-14(21)8-15(22)10-16/h4-10,13H,11-12H2,1-3H3,(H,23,27)(H,24,26)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=96.9919 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 472.393 g/mol  logS: -5.64033  SlogP: 3.7839  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0973491  Sterimol/B1: 4.08334  Sterimol/B2: 4.58329  Sterimol/B3: 6.62807
  Sterimol/B4: 6.96266  Sterimol/L: 19.5158 
 
 Surface and Volume Properties
  Accessible surface: 722.061  Positive charged surface: 352.421  Negative charged surface: 369.64  Volume: 407.25
  Hydrophobic surface: 567.237  Hydrophilic surface: 154.824
 
 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: no related molecules available.