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PUBCHEM-ZINC01111973

 MMsINC code: MMs02772287
Type: Neutral
Formula: C17H17ClN2O5S
SMILES:   Clc1cc(OC(C(=O)Nc2ccc(S(=O)(=O)NC(=O)C)cc2)C)ccc1
InChI:   InChI=1/C17H17ClN2O5S/c1-11(25-15-5-3-4-13(18)10-15)17(22)19-14-6-8-16(9-7-14)26(23,24)20-12(2)21/h3-11H,1-2H3,(H,19,22)(H,20,21)/t11-/m1/s1

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Potential Energy
Epot(MMFF94)=51.8039 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 396.851 g/mol  logS: -4.92573  SlogP: 2.5708  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0412264  Sterimol/B1: 2.3761  Sterimol/B2: 3.36822  Sterimol/B3: 5.25947
  Sterimol/B4: 5.9965  Sterimol/L: 19.8324 
 
 Surface and Volume Properties
  Accessible surface: 630.93  Positive charged surface: 305.865  Negative charged surface: 325.065  Volume: 337.375
  Hydrophobic surface: 460.645  Hydrophilic surface: 170.285
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.