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Compound 88
  CheckMol                        TMF02:r0:m0
MF=C17H27N3O4S MW=369.48
 25 26  0  2  0               999 V2000
    0.0000   -0.0000   -0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5127    0.0118   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7563   -1.2882   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2882   -0.7445   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0118    1.5127   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2763   -2.2336   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5763    0.0118   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3236    2.2809   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0355   -2.9663   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5645   -2.9663   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8645   -0.7327   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8526   -2.2099   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1526    0.0236   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1408   -2.9545   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4408   -0.7209   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1408    1.5363   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4289   -2.1981   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4289    2.2927   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4171    3.8054   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1881    4.7035   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6226    4.7035   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6371    6.1453   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7463    4.2544   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1498    6.1453   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4272    2.8008   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  4  6 02  0  1  0  0
  4  7 01  0  1  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10 01  0  1  0  0
  7 11 02  0  1  0  0
 10 12 02  0  1  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  1  0  0
 19 21  1  0  1  0  0
 20 22  1  0  1  0  0
 20 23  1  0  0  0  0
 21 24  1  0  1  0  0
 23 25  1  0  0  0  0
 11 12 01  0  1  0  0
 22 24  1  0  1  0  0
M  END

Amisulpride

₹ 0.00 0.00

Chemical Name - Amisulpride
Mol Weight - 369.484
Smiles - CCN1C(CNC(c(c(OC)c2)cc(S(CC)(=O)=O)c2N)=O)CCC1

Property Name	Property Value
Mol Name	Amisulpride
Molweight	369.484
Monoisotopic Mass	369.172227
Clogp	0.6656
Clogs	-2.851
H Acceptors	7
H Donors	2
Total Surface Area	278.21
Relative Psa	0.29438
Polar Surface Area	110.11
Druglikeness	7.3468
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.52
Molecular Flexibility	0.55606
Molecular Complexity	0.83521
Fragments	1
Non H Atoms	25
Non Ch Atoms	8
Electronegative Atoms	8
Stereo Centers	1
Rotatable Bonds	7
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	13
Symmetric Atoms	1
Amides	1
Amines	2
Alkyl Amines	1
Aromatic Amines	1
Basic Nitrogens	1
Smiles	CCN1C(CNC(c(c(OC)c2)cc(S(CC)(=O)=O)c2N)=O)CCC1
InChIKey	InChI=1S/C17H27N3O4S/c1-4-20-8-6-7-12(20)11-19-17(21)13-9-16(25(22,23)5-2)14(18)10-15(13)24-3/h9-10,12H,4-8,11,18H2,1-3H3,(H,19,21)
InChI	NTJOBXMMWNYJFB-UHFFFAOYSA-N

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Amisulpride