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NCID-ZINC01866098

 MMsINC code: MMs02375226
Type: Neutral
Formula: C23H17Cl2N3O3S
SMILES:   Clc1ccccc1C(=O)n1c2c(cccc2)c(\C=N\NS(=O)(=O)c2ccc(cc2)C)c1Cl
InChI:   InChI=1/C23H17Cl2N3O3S/c1-15-10-12-16(13-11-15)32(30,31)27-26-14-19-17-6-3-5-9-21(17)28(22(19)25)23(29)18-7-2-4-8-20(18)24/h2-14,27H,1H3/b26-14+

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Potential Energy
Epot(MMFF94)=146.805 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 486.379 g/mol  logS: -8.10552  SlogP: 5.25742  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.149799  Sterimol/B1: 2.21787  Sterimol/B2: 4.22973  Sterimol/B3: 7.31177
  Sterimol/B4: 8.65868  Sterimol/L: 15.3572 
 
 Surface and Volume Properties
  Accessible surface: 714.83  Positive charged surface: 315.763  Negative charged surface: 394.138  Volume: 414.75
  Hydrophobic surface: 588.48  Hydrophilic surface: 126.35
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.