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PUBCHEM-ZINC00964343

 MMsINC code: MMs02745648
Type: Neutral
Formula: C19H21ClN2O2S2
SMILES:   Clc1ccccc1C(=O)N1C(SCC1C(=O)NCC(C)C)c1sccc1
InChI:   InChI=1/C19H21ClN2O2S2/c1-12(2)10-21-17(23)15-11-26-19(16-8-5-9-25-16)22(15)18(24)13-6-3-4-7-14(13)20/h3-9,12,15,19H,10-11H2,1-2H3,(H,21,23)/t15-,19+/m1/s1

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Potential Energy
Epot(MMFF94)=199.334 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 408.974 g/mol  logS: -5.65865  SlogP: 4.5256  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.149868  Sterimol/B1: 2.81863  Sterimol/B2: 4.85209  Sterimol/B3: 5.66096
  Sterimol/B4: 6.58009  Sterimol/L: 16.4235 
 
 Surface and Volume Properties
  Accessible surface: 608.758  Positive charged surface: 345.848  Negative charged surface: 262.91  Volume: 361.875
  Hydrophobic surface: 494.135  Hydrophilic surface: 114.623
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.