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CHEMDIV-ZINC06804203

 MMsINC code: MMs01031406
Type: Neutral
Formula: C20H25ClN2O2S
SMILES:   Clc1ccc(S(=O)(=O)NC2CCCCC2N(C)c2cc(ccc2)C)cc1
InChI:   InChI=1/C20H25ClN2O2S/c1-15-6-5-7-17(14-15)23(2)20-9-4-3-8-19(20)22-26(24,25)18-12-10-16(21)11-13-18/h5-7,10-14,19-20,22H,3-4,8-9H2,1-2H3/t19-,20-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=72.9488 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 392.951 g/mol  logS: -5.10874  SlogP: 4.37432  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.246828  Sterimol/B1: 3.52744  Sterimol/B2: 4.70551  Sterimol/B3: 5.72656
  Sterimol/B4: 8.17902  Sterimol/L: 13.821 
 
 Surface and Volume Properties
  Accessible surface: 596.423  Positive charged surface: 327.864  Negative charged surface: 268.559  Volume: 367.375
  Hydrophobic surface: 528.782  Hydrophilic surface: 67.641
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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: no related molecules available.