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ENAMINE-ZINC03329092

 MMsINC code: MMs01375436
Type: Neutral
Formula: C18H20ClNO4S
SMILES:   Clc1ccc(S(=O)(=O)C)cc1NC(=O)CCCOc1cc(ccc1)C
InChI:   InChI=1/C18H20ClNO4S/c1-13-5-3-6-14(11-13)24-10-4-7-18(21)20-17-12-15(25(2,22)23)8-9-16(17)19/h3,5-6,8-9,11-12H,4,7,10H2,1-2H3,(H,20,21)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=82.0336 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 381.88 g/mol  logS: -4.86428  SlogP: 3.84962  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0157883  Sterimol/B1: 2.71749  Sterimol/B2: 3.57565  Sterimol/B3: 3.84458
  Sterimol/B4: 7.83766  Sterimol/L: 19.1534 
 
 Surface and Volume Properties
  Accessible surface: 659.074  Positive charged surface: 350.766  Negative charged surface: 308.308  Volume: 342.875
  Hydrophobic surface: 553.953  Hydrophilic surface: 105.121
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.