# # XLOGP v2.0 logP calculation: Wed Dec 3 12:34:26 2003 # # Name of molecule : 1ppc_ligand # Molecular formula: C27H32N5O4S # Molecular weight : 522.39 # ---------------------------------------------- ID atom type contribution ---------------------------------------------- 1 S.o -0.168 2 O.2 -0.399 3 O.2 -0.399 4 C.ar 0.337 5 C.ar.x 0.296 6 C.ar 0.337 7 C.ar 0.337 8 C.ar 0.337 9 C.ar 0.337 10 C.ar 0.337 11 C.ar 0.337 12 C.ar 0.296 13 C.ar 0.296 14 N.pl3.h -0.096 15 C.3.x -0.303 16 C.2.x -0.030 17 O.2 -0.399 18 C.2.x -0.030 19 C.3.x -0.305 20 C.3 -0.008 21 C.ar 0.296 22 C.ar 0.337 23 C.ar 0.337 24 C.ar 0.337 25 C.ar 0.337 26 C.ar 0.296 27 C.cat -0.315 28 O.2 -0.399 29 N.pl3.h -0.096 30 N.pl3.h -0.329 31 N.pl3.h -0.329 32 N.pl3 0.078 33 C.3.x -0.137 34 C.3 0.358 35 C.3 0.358 36 C.3 0.358 37 C.3.x -0.137 ---------------------------------------------- Calculated LogP = 2.46