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PUBCHEM-ZINC02754614

 MMsINC code: MMs02917328
Type: Neutral
Formula: C24H18ClN3O4S
SMILES:   Clc1ccccc1-c1nc2c(cccc2)c(c1)C(=O)Nc1ccc(S(=O)(=O)NC(=O)C)cc
1
InChI:   InChI=1/C24H18ClN3O4S/c1-15(29)28-33(31,32)17-12-10-16(11-13-17)26-24(30)20-14-23(19-7-2-4-8-21(19)25)27-22-9-5-3-6-18(20)22/h2-14H,1H3,(H,26,30)(H,28,29)

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Potential Energy
Epot(MMFF94)=86.0652 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 479.944 g/mol  logS: -7.50542  SlogP: 4.6323  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0349127  Sterimol/B1: 2.41516  Sterimol/B2: 5.19635  Sterimol/B3: 5.99015
  Sterimol/B4: 6.74067  Sterimol/L: 19.385 
 
 Surface and Volume Properties
  Accessible surface: 727.26  Positive charged surface: 349.945  Negative charged surface: 368.387  Volume: 410.5
  Hydrophobic surface: 573.9  Hydrophilic surface: 153.36
 
 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: 0
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Ions/Tautomers related molecules: no related molecules available.