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ENAMINE-ZINC03287285

MMsINC code: MMs01351172

Type: Neutral
Formula: C18H18Cl2N2O4S
SMILES:   Clc1ccc(cc1S(=O)(=O)N(C)c1ccc(Cl)cc1)C(=O)N1CCOCC1
InChI:   InChI=1/C18H18Cl2N2O4S/c1-21(15-5-3-14(19)4-6-15)27(24,25)17-12-13(2-7-16(17)20)18(23)22-8-10-26-11-9-22/h2-7,12H,8-11H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=120.996 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 429.324 g/mol  logS: -4.9225  SlogP: 3.2909  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0597535  Sterimol/B1: 3.36494  Sterimol/B2: 3.67961  Sterimol/B3: 3.88182
  Sterimol/B4: 8.55954  Sterimol/L: 16.2102 
 
 Surface and Volume Properties
  Accessible surface: 608.714  Positive charged surface: 329.566  Negative charged surface: 279.147  Volume: 352.75
  Hydrophobic surface: 513.259  Hydrophilic surface: 95.455
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.