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Compound 371
  CheckMol                        TMF02:r0:m0
MF=C22H25NO6 MW=399.44
 29 31  0  6  1               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4914    0.1184   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.0241    1.5269   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.2253   -1.1718   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    0.9943    2.6396   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4445    1.9767   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.7049   -1.3849   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.4204    4.0836   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6755    1.1363   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    4.7938   -0.3551   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.7996   -2.8763   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2734   -0.5682   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.4857   -3.6220   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0306   -3.7167   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0073    0.7457   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    7.0191   -1.8584   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.4739   -5.1134   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4510   -3.2669   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2379    2.0596   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4987    0.7575   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    8.5105   -1.8465   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.1600   -5.8591   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7640   -5.8591   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9718    3.3734   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2444    2.0714   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2444   -0.5326   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    8.4869    3.3853   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7358   -0.5208   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4815    0.7931   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3 01  0  1  0  0
  2  4 01  0  1  0  0
  3  5  1  0  0  0  0
  3  6 02  0  1  0  0
  4  7 02  0  1  0  0
  5  8  1  0  0  0  0
  6  9 01  0  1  0  0
  7 10 01  0  2  0  0
  7 11  1  0  1  0  0
 10 12  1  0  1  0  0
 11 13  1  6  0  0  0
 11 14  1  0  1  0  0
 12 15 02  0  1  0  0
 12 16 01  0  2  0  0
 13 17  1  0  0  0  0
 14 18  1  0  1  0  0
 15 19  1  0  0  0  0
 15 20 01  0  1  0  0
 16 21 02  0  1  0  0
 17 22  2  0  0  0  0
 17 23  1  0  0  0  0
 19 24  1  0  0  0  0
 20 25  1  0  0  0  0
 20 26 02  0  1  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
  9 10 02  0  1  0  0
 16 18  1  0  1  0  0
 21 26 01  0  1  0  0
M  END

Colchicine

₹ 0.00 0.00

Chemical Name - Colchicine
Mol Weight - 399.442
Smiles - CC(N[C@@H](CCc(c(C1=CC=C2OC)c3OC)cc(OC)c3OC)C1=CC2=O)=O

Property Name	Property Value
Mol Name	Colchicine
Molweight	399.442
Monoisotopic Mass	399.168189
Clogp	1.863
Clogs	-3.046
H Acceptors	7
H Donors	1
Total Surface Area	308.67
Relative Psa	0.25121
Polar Surface Area	83.09
Druglikeness	1.024
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Shape Index	0.41379
Molecular Flexibility	0.30074
Molecular Complexity	0.96072
Fragments	1
Non H Atoms	29
Non Ch Atoms	7
Electronegative Atoms	7
Stereo Centers	1
Rotatable Bonds	5
Rings Closures	3
Small Rings	3
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	12
Amides	1
Smiles	CC(N[C@@H](CCc(c(C1=CC=C2OC)c3OC)cc(OC)c3OC)C1=CC2=O)=O
InChIKey	InChI=1S/C22H25NO6/c1-12(24)23-16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)/t16-/m0/s1
InChI	IAKHMKGGTNLKSZ-INIZCTEOSA-N

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Colchicine