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CHEMDIV-ZINC02938239

 MMsINC code: MMs00894246
Type: Neutral
Formula: C19H23ClN2O3S
SMILES:   Clc1ccc(S(=O)(=O)NC(Cc2ccccc2)C(=O)NC(CC)C)cc1
InChI:   InChI=1/C19H23ClN2O3S/c1-3-14(2)21-19(23)18(13-15-7-5-4-6-8-15)22-26(24,25)17-11-9-16(20)10-12-17/h4-12,14,18,22H,3,13H2,1-2H3,(H,21,23)/t14-,18-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=44.2728 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 394.923 g/mol  logS: -4.81528  SlogP: 3.14427  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.155414  Sterimol/B1: 2.83131  Sterimol/B2: 4.39931  Sterimol/B3: 5.10899
  Sterimol/B4: 6.49825  Sterimol/L: 15.2274 
 
 Surface and Volume Properties
  Accessible surface: 605.002  Positive charged surface: 330.037  Negative charged surface: 274.965  Volume: 366.125
  Hydrophobic surface: 469.348  Hydrophilic surface: 135.654
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.