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Compound 51
  CheckMol                        TMF02:r0:m0
MF=C19H24N2O2 MW=312.41
 23 26  0  7  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3114   -0.7325   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3232   -2.2211   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6227    0.0236   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6345   -2.9653   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0354   -2.9653   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9341   -0.7088   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6464   -4.4539   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9459   -2.1974   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0473   -4.4539   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2455    0.0473   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3586   -5.1982   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9577   -5.1864   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2573    1.5595   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5568   -0.6852   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3704   -6.6868   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9695   -6.6750   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -7.8682    0.0827   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5687   -2.1738   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6818   -7.4193   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -9.1796   -0.6498   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8800   -2.9063   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1914   -2.1384   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  1  0  0
  2  4  1  0  1  0  0
  3  5  1  0  2  0  0
  3  6  1  0  1  0  0
  4  7  1  0  1  0  0
  5  8  1  0  1  0  0
  5  9  1  0  1  0  0
  6 10  1  0  1  0  0
  7 11  1  0  0  0  0
  8 12 02  0  2  0  0
  8 13 01  0  1  0  0
 11 14  2  0  0  0  0
 11 15  1  0  0  0  0
 12 16 01  0  1  0  0
 13 17 02  0  1  0  0
 15 18  1  0  1  0  0
 15 19  1  0  1  0  0
 16 20 02  0  1  0  0
 18 21  1  0  1  0  0
 19 22  1  0  1  0  0
 21 23  1  0  1  0  0
  7  9  1  0  1  0  0
 10 12  1  0  1  0  0
 17 20 01  0  1  0  0
 22 23  1  0  1  0  0
M  END

Praziquantel

₹ 0.00 0.00

Chemical Name - Praziquantel
Mol Weight - 312.412
Smiles - O=C(C1CCCCC1)N(CC1N2CCc3c1cccc3)CC2=O

Property Name	Property Value
Mol Name	Praziquantel
Molweight	312.412
Monoisotopic Mass	312.183778
Clogp	2.5396
Clogs	-2.409
H Acceptors	4
Total Surface Area	237.7
Relative Psa	0.13959
Polar Surface Area	40.62
Druglikeness	-0.071538
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Shape Index	0.52174
Molecular Flexibility	0.30861
Molecular Complexity	0.85157
Fragments	1
Non H Atoms	23
Non Ch Atoms	4
Electronegative Atoms	4
Stereo Centers	1
Rotatable Bonds	1
Rings Closures	4
Small Rings	4
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	11
Symmetric Atoms	2
Amides	2
Smiles	O=C(C1CCCCC1)N(CC1N2CCc3c1cccc3)CC2=O
InChIKey
InChI	C19H24N2O2

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Praziquantel