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PUBCHEM-ZINC05983637

 MMsINC code: MMs03476810
Type: Neutral
Formula: C24H14ClN3O3S2
SMILES:   Clc1cc2Sc3n(S(=O)(=O)c2cc1C(=O)N1c2c(C=Cc4c1cccc4)cccc2)ccn3
InChI:   InChI=1/C24H14ClN3O3S2/c25-18-14-21-22(33(30,31)27-12-11-26-24(27)32-21)13-17(18)23(29)28-19-7-3-1-5-15(19)9-10-16-6-2-4-8-20(16)28/h1-14H

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Potential Energy
Epot(MMFF94)=200.4 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 491.979 g/mol  logS: -8.15978  SlogP: 5.7004  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.141425  Sterimol/B1: 2.82514  Sterimol/B2: 4.9645  Sterimol/B3: 6.39332
  Sterimol/B4: 6.41869  Sterimol/L: 17.9027 
 
 Surface and Volume Properties
  Accessible surface: 637.346  Positive charged surface: 297.828  Negative charged surface: 339.517  Volume: 406.75
  Hydrophobic surface: 523.325  Hydrophilic surface: 114.021
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.