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ENAMINE-ZINC03298786

 MMsINC code: MMs01357373
Type: Neutral
Formula: C26H25ClN2O5S
SMILES:   Clc1ccc(cc1S(=O)(=O)NCc1ccccc1)C(OCC(=O)NC1CCCc2c1cccc2)=O
InChI:   InChI=1/C26H25ClN2O5S/c27-22-14-13-20(15-24(22)35(32,33)28-16-18-7-2-1-3-8-18)26(31)34-17-25(30)29-23-12-6-10-19-9-4-5-11-21(19)23/h1-5,7-9,11,13-15,23,28H,6,10,12,16-17H2,(H,29,30)/t23-/m1/s1

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Potential Energy
Epot(MMFF94)=101.428 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 513.014 g/mol  logS: -6.94811  SlogP: 4.53097  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0260475  Sterimol/B1: 3.18255  Sterimol/B2: 3.58189  Sterimol/B3: 5.14532
  Sterimol/B4: 7.49397  Sterimol/L: 23.3452 
 
 Surface and Volume Properties
  Accessible surface: 798.11  Positive charged surface: 424.721  Negative charged surface: 373.389  Volume: 453.625
  Hydrophobic surface: 639.159  Hydrophilic surface: 158.951
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.