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ASINEX-ZINC00676985

 MMsINC code: MMs00148228
Type: Neutral
Formula: C18H14Cl2N4O3S
SMILES:   Clc1cc(Cl)ccc1C(=O)Nc1ccc(S(=O)(=O)Nc2nc(ccn2)C)cc1
InChI:   InChI=1/C18H14Cl2N4O3S/c1-11-8-9-21-18(22-11)24-28(26,27)14-5-3-13(4-6-14)23-17(25)15-7-2-12(19)10-16(15)20/h2-10H,1H3,(H,23,25)(H,21,22,24)

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Potential Energy
Epot(MMFF94)=39.2076 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 437.307 g/mol  logS: -6.30328  SlogP: 4.14492  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.06239  Sterimol/B1: 2.48726  Sterimol/B2: 2.51431  Sterimol/B3: 5.68383
  Sterimol/B4: 8.18989  Sterimol/L: 19.1132 
 
 Surface and Volume Properties
  Accessible surface: 652.36  Positive charged surface: 301.386  Negative charged surface: 350.973  Volume: 354.75
  Hydrophobic surface: 517.158  Hydrophilic surface: 135.202
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.