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PUBCHEM-ZINC02461720

 MMsINC code: MMs02888301
Type: Neutral
Formula: C25H21ClN2O3S
SMILES:   Clc1ccc(cc1)Cn1cc(S(=O)(=O)CC(=O)N2CCc3c2cccc3)c2c1cccc2
InChI:   InChI=1/C25H21ClN2O3S/c26-20-11-9-18(10-12-20)15-27-16-24(21-6-2-4-8-23(21)27)32(30,31)17-25(29)28-14-13-19-5-1-3-7-22(19)28/h1-12,16H,13-15,17H2

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Potential Energy
Epot(MMFF94)=108.77 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 464.973 g/mol  logS: -6.28598  SlogP: 4.97237  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.183823  Sterimol/B1: 3.50045  Sterimol/B2: 4.45626  Sterimol/B3: 6.60876
  Sterimol/B4: 8.09101  Sterimol/L: 15.6327 
 
 Surface and Volume Properties
  Accessible surface: 711.327  Positive charged surface: 354.001  Negative charged surface: 354.3  Volume: 419.25
  Hydrophobic surface: 603.002  Hydrophilic surface: 108.325
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.