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PUBCHEM-ZINC02854637

 MMsINC code: MMs02940397
Type: Neutral
Formula: C15H16ClN3O2S2
SMILES:   Clc1ccc(cc1)CNC(=S)NCc1ccc(S(=O)(=O)N)cc1
InChI:   InChI=1/C15H16ClN3O2S2/c16-13-5-1-11(2-6-13)9-18-15(22)19-10-12-3-7-14(8-4-12)23(17,20)21/h1-8H,9-10H2,(H2,17,20,21)(H2,18,19,22)

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Potential Energy
Epot(MMFF94)=13.0142 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 369.897 g/mol  logS: -5.31767  SlogP: 2.6845  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.061968  Sterimol/B1: 2.42306  Sterimol/B2: 4.81505  Sterimol/B3: 5.01722
  Sterimol/B4: 5.54809  Sterimol/L: 19.5245 
 
 Surface and Volume Properties
  Accessible surface: 614.566  Positive charged surface: 292.509  Negative charged surface: 322.057  Volume: 318.375
  Hydrophobic surface: 380.974  Hydrophilic surface: 233.592
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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: 1
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Ions/Tautomers related molecules


MMs02940398
PUBCHEM-ZINC02854637