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PUBCHEM-ZINC03676096

 MMsINC code: MMs03038545
Type: Neutral
Formula: C20H19ClN2O3S
SMILES:   Clc1ccccc1-c1[nH]c2c(cc(S(=O)(=O)N3CCCCC3)cc2)c1C=O
InChI:   InChI=1/C20H19ClN2O3S/c21-18-7-3-2-6-15(18)20-17(13-24)16-12-14(8-9-19(16)22-20)27(25,26)23-10-4-1-5-11-23/h2-3,6-9,12-13,22H,1,4-5,10-11H2

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Potential Energy
Epot(MMFF94)=59.1064 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 402.902 g/mol  logS: -5.47807  SlogP: 4.4754  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0706111  Sterimol/B1: 2.49622  Sterimol/B2: 4.17269  Sterimol/B3: 5.20007
  Sterimol/B4: 6.27813  Sterimol/L: 18.24 
 
 Surface and Volume Properties
  Accessible surface: 622.759  Positive charged surface: 348.815  Negative charged surface: 268.14  Volume: 353.125
  Hydrophobic surface: 507.239  Hydrophilic surface: 115.52
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.