Compound 87
  CheckMol                        TMF02:r0:m0
MF=C24H33N3O4 MW=427.54
 31 33  0  3  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3154    0.7703   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6307    0.0356   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3272    2.2871   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6426   -1.4576   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0356    3.0455   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9580   -2.1923   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3509   -2.2041   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0474    4.5623   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2561    2.3108   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9698   -3.6854   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2733   -1.4220   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3628   -3.6973   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0593   -1.4457   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2443    5.3207   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5478    3.0692   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6781   -4.4320   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5359    4.5742   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8276    5.3326   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1193    4.5979   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1074    3.1047   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4109    5.3563   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7026    4.6216   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9943    5.3800   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   10.2859    4.6453   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    8.9824    6.8968   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   10.2741    3.1521   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5776    5.4037   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   10.2741    7.6552   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    8.9587    2.4174   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5658    6.9205   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7 02  0  1  0  0
  5  8 01  0  1  0  0
  6  9  1  0  1  0  0
  6 10  1  0  1  0  0
  7 11 01  0  1  0  0
  7 12  1  0  0  0  0
  8 13 02  0  1  0  0
  8 14  1  0  0  0  0
  9 15  1  0  1  0  0
 10 16  1  0  1  0  0
 11 17 02  0  1  0  0
 15 18  1  0  1  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25 02  0  1  0  0
 24 26 01  0  1  0  0
 25 27  1  0  0  0  0
 25 28 01  0  1  0  0
 26 29 02  0  1  0  0
 27 30  1  0  0  0  0
 28 31 02  0  1  0  0
 13 17 01  0  1  0  0
 16 18  1  0  1  0  0
 29 31 01  0  1  0  0
M  END

2D Structure

Ranolazine

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Chemical Name - Ranolazine
Mol Weight - 427.543
Smiles - Cc1cccc(C)c1NC(CN1CCN(CC(COc(cccc2)c2OC)O)CC1)=O

Property Name	Property Value
Mol Name	Ranolazine
Molweight	427.543
Monoisotopic Mass	427.247107
Clogp	2.2106
Clogs	-2.477
H Acceptors	7
H Donors	2
Total Surface Area	341.28
Relative Psa	0.18958
Polar Surface Area	74.27
Druglikeness	8.0575
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Shape Index	0.6129
Molecular Flexibility	0.53882
Molecular Complexity	0.72502
Fragments	1
Non H Atoms	31
Non Ch Atoms	7
Electronegative Atoms	7
Stereo Centers	1
Rotatable Bonds	9
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3 Atoms	16
Symmetric Atoms	5
Amides	1
Amines	2
Alkyl Amines	2
Basic Nitrogens	2
Smiles	Cc1cccc(C)c1NC(CN1CCN(CC(COc(cccc2)c2OC)O)CC1)=O
InChIKey
InChI	C24H33N3O4

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1 — Ranolazine | 2 — Ranolazine