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ENAMINE-ZINC05127055

 MMsINC code: MMs01590467
Type: Neutral
Formula: C15H13ClN2O5S
SMILES:   Clc1ccc(S(=O)(=O)NNC(=O)C2Oc3c(OC2)cccc3)cc1
InChI:   InChI=1/C15H13ClN2O5S/c16-10-5-7-11(8-6-10)24(20,21)18-17-15(19)14-9-22-12-3-1-2-4-13(12)23-14/h1-8,14,18H,9H2,(H,17,19)/t14-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=107.478 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 368.797 g/mol  logS: -4.56822  SlogP: 1.4895  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0375049  Sterimol/B1: 3.12232  Sterimol/B2: 4.08124  Sterimol/B3: 4.21871
  Sterimol/B4: 5.82597  Sterimol/L: 16.7387 
 
 Surface and Volume Properties
  Accessible surface: 574.854  Positive charged surface: 262.263  Negative charged surface: 312.591  Volume: 298.625
  Hydrophobic surface: 424.199  Hydrophilic surface: 150.655
 
 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.