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ENAMINE-ZINC06882148

 MMsINC code: MMs01710745
Type: Tautomer
Formula: C18H23N3O3S
SMILES:   S(=O)(=O)(N)c1ccc(NC(=O)C(N(Cc2ccc(cc2)C)C)C)cc1
InChI:   InChI=1/C18H23N3O3S/c1-13-4-6-15(7-5-13)12-21(3)14(2)18(22)20-16-8-10-17(11-9-16)25(19,23)24/h4-11,14H,12H2,1-3H3,(H,20,22)(H2,19,23,24)/t14-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=84.1423 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 361.466 g/mol  logS: -4.2805  SlogP: 2.36782  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0465947  Sterimol/B1: 2.45603  Sterimol/B2: 3.13092  Sterimol/B3: 4.09832
  Sterimol/B4: 7.17154  Sterimol/L: 19.703 
 
 Surface and Volume Properties
  Accessible surface: 630.383  Positive charged surface: 374.831  Negative charged surface: 255.552  Volume: 340.125
  Hydrophobic surface: 444.368  Hydrophilic surface: 186.015
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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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Parent related molecule:


MMs01710744
ENAMINE-ZINC06882148