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ANALYTICONDISCOVERY-ZINC03841250

 MMsINC code: MMs00028058
Type: Neutral
Formula: C19H24ClN3O4S
SMILES:   Clc1ccc(S(=O)(=O)NC2CC3N(CC2)C(=O)N(C2CCCCC2)C3=O)cc1
InChI:   InChI=1/C19H24ClN3O4S/c20-13-6-8-16(9-7-13)28(26,27)21-14-10-11-22-17(12-14)18(24)23(19(22)25)15-4-2-1-3-5-15/h6-9,14-15,17,21H,1-5,10-12H2/t14-,17-/m0/s1

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Potential Energy
Epot(MMFF94)=11.1571 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 425.937 g/mol  logS: -4.31863  SlogP: 2.7462  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0767069  Sterimol/B1: 2.8828  Sterimol/B2: 4.45519  Sterimol/B3: 5.19677
  Sterimol/B4: 5.44604  Sterimol/L: 18.835 
 
 Surface and Volume Properties
  Accessible surface: 641.47  Positive charged surface: 365.71  Negative charged surface: 275.76  Volume: 368.375
  Hydrophobic surface: 517.321  Hydrophilic surface: 124.149
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.