XLOGP3-AA of MOL : -1.79 -------------------------------------------------- + Contribution from Each Atom: 1 S.3: 0.844 2 S.ar: 1.162 3 O.2.(=C): 0.641 4 O.2.(=C): 0.641 5 O.2.(=C): 0.641 6 O.2.(=C): 0.641 7 O.2.(=C): 0.641 8 O.3.h.pi: -0.007 9 N.am: -0.105 10 N.am: -0.105 11 N.3.h: -0.235 12 N.am.h: -0.272 13 N.2.(=C): 0.905 14 N.ar.X: -0.298 15 N.ar: 0.091 16 N.3.2h.pi: -0.333 17 C.3.h.X: -0.144 18 C.3.h.X: -0.144 19 C.3.h.X.pi: -0.342 20 C.3.2h: 0.357 21 C.3.2h.X: -0.097 22 C.3.2h.X: -0.097 23 C.3.2h.X: -0.097 24 C.2.(=X).X: -0.760 25 C.3.2h.pi: 0.295 26 C.2.(=C).X: -0.235 27 C.2.(=X).X: -0.760 28 C.2.(=C).X: -0.235 29 C.2.(=C).ring: -0.202 30 C.3.2h.X.pi: -0.264 31 C.2.h.(=C): 0.322 32 C.2.(=X).X: -0.760 33 C.2.(=X).X: -0.760 34 C.2.(=X).X: -0.760 35 C.ar.(-X).X: -0.115 36 C.ar.(-X).X: -0.115 + Contribution from 'Amino Acid' Correction: -2.280 + Contribution from 'Hydrogen Bond' Correction: 0.551