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ASINEX-ZINC01341940

 MMsINC code: MMs00240194
Type: Neutral
Formula: C19H25ClN2O3S
SMILES:   Clc1ccc(S(=O)(=O)N2CCCC2C(=O)NCCC=2CCCCC=2)cc1
InChI:   InChI=1/C19H25ClN2O3S/c20-16-8-10-17(11-9-16)26(24,25)22-14-4-7-18(22)19(23)21-13-12-15-5-2-1-3-6-15/h5,8-11,18H,1-4,6-7,12-14H2,(H,21,23)/t18-/m0/s1

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Potential Energy
Epot(MMFF94)=54.367 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 396.939 g/mol  logS: -4.72503  SlogP: 3.4998  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0556653  Sterimol/B1: 3.13729  Sterimol/B2: 3.57548  Sterimol/B3: 4.65595
  Sterimol/B4: 7.6472  Sterimol/L: 19.3207 
 
 Surface and Volume Properties
  Accessible surface: 661.158  Positive charged surface: 407.865  Negative charged surface: 253.294  Volume: 363.625
  Hydrophobic surface: 573.739  Hydrophilic surface: 87.419
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.