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ENAMINE-ZINC03334648

 MMsINC code: MMs01379000
Type: Neutral
Formula: C23H22Cl2N2O3S
SMILES:   Clc1cc(S(=O)(=O)N(Cc2ccccc2)CC(=O)NC(C)c2ccccc2)ccc1Cl
InChI:   InChI=1/C23H22Cl2N2O3S/c1-17(19-10-6-3-7-11-19)26-23(28)16-27(15-18-8-4-2-5-9-18)31(29,30)20-12-13-21(24)22(25)14-20/h2-14,17H,15-16H2,1H3,(H,26,28)/t17-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=72.9072 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 477.412 g/mol  logS: -6.8026  SlogP: 5.4236  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0919073  Sterimol/B1: 2.0692  Sterimol/B2: 4.9266  Sterimol/B3: 6.70068
  Sterimol/B4: 9.47848  Sterimol/L: 17.1784 
 
 Surface and Volume Properties
  Accessible surface: 715.169  Positive charged surface: 331.864  Negative charged surface: 383.305  Volume: 424.875
  Hydrophobic surface: 625.335  Hydrophilic surface: 89.834
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.