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NCID-ZINC01618712

 MMsINC code: MMs02267399
Type: Neutral
Formula: C14H21ClN2O3S
SMILES:   Clc1ccc(S(=O)(=O)N(C(C)(C)C)C(=O)NCCC)cc1
InChI:   InChI=1/C14H21ClN2O3S/c1-5-10-16-13(18)17(14(2,3)4)21(19,20)12-8-6-11(15)7-9-12/h6-9H,5,10H2,1-4H3,(H,16,18)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=48.7361 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 332.852 g/mol  logS: -3.79019  SlogP: 3.2488  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.139232  Sterimol/B1: 3.37614  Sterimol/B2: 4.35381  Sterimol/B3: 4.42279
  Sterimol/B4: 8.46745  Sterimol/L: 13.1661 
 
 Surface and Volume Properties
  Accessible surface: 530.016  Positive charged surface: 283.263  Negative charged surface: 246.753  Volume: 296
  Hydrophobic surface: 399.678  Hydrophilic surface: 130.338
 
 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.