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ASINEX-ZINC04520162

 MMsINC code: MMs00348019
Type: Neutral
Formula: C15H18ClN3O4S
SMILES:   Clc1ccc(S(=O)(=O)N2CCC(NC3CC(=O)NC3=O)CC2)cc1
InChI:   InChI=1/C15H18ClN3O4S/c16-10-1-3-12(4-2-10)24(22,23)19-7-5-11(6-8-19)17-13-9-14(20)18-15(13)21/h1-4,11,13,17H,5-9H2,(H,18,20,21)/t13-/m0/s1

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Potential Energy
Epot(MMFF94)=25.8023 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 371.845 g/mol  logS: -2.94269  SlogP: 0.4978  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0867392  Sterimol/B1: 2.47665  Sterimol/B2: 4.10263  Sterimol/B3: 4.72891
  Sterimol/B4: 4.98886  Sterimol/L: 17.7875 
 
 Surface and Volume Properties
  Accessible surface: 579.218  Positive charged surface: 302.005  Negative charged surface: 277.213  Volume: 311.625
  Hydrophobic surface: 376.553  Hydrophilic surface: 202.665
 
 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.