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Table 2 Result of the \(Sstate_{3D}\) calculation for each atom of the molecule 6k

From: Maximum common property: a new approach for molecular similarity

Molecule 6k
Atom Number Sstate3D Atom Number Sstate3D
C 1 0.27653 N 19 − 1.4592
C 2 4.24474 C 20 3.38006
C 3 − 2.11427 C 21 3.11542
C 4 4.25231 C 22 − 0.12941
C 5 0.49396 C 23 3.09432
C 6 0.52371 C 24 3.32881
C 7 0.28273 O 25 4.22234
C 8 4.2063 N 26 − 1.30847
C 9 − 0.37931 C 27 3.52697
C 10 3.51969 C 28 2.9831
C 11 2.98731 C 29 3.01061
C 12 2.89649 C 30 3.54754
C 13 2.99502 C 31 − 0.38433
C 14 3.5348 C 32 3.54001
O 15 − 0.08644 C 33 2.99825
C 16 − 0.10545 C 34 2.90069
O 17 5.5644 C 35 2.99544
C 18 3.75612 C 36 3.53921