Software for chemicals, Pharmaceutical & Biotech Industry

Compound 176
  CheckMol                        TMF02:r0:m0
MF=C88H97Cl2N9O33 MW=1879.68
132145  0258  1               999 V2000
    0.0000   -0.0000   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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   10.2226   -2.1878   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0116    0.1042   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4818   10.6784   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.8423    4.3365   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
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    6.3680  -10.3659   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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114120  1  0  1  0  0
119125 02  0 35  0  0
127131 02  0 35  0  0
M  END

Teicoplanin

₹ 0.00 0.00

Chemical Name - Teicoplanin
Mol Weight - 1879.67
Smiles - CCCCCCCCCC(N[C@H]([C@H]1O)[C@H](Oc(c(Oc(ccc(C[C@H](C(N[C@@H](c2cc(Oc(cc([C@H]3N)cc4)c4O)cc(O)c2)C(N[C@H]2C(N[C@H](c(cc4)cc(-c(c(O[C@H]([C@H]([C@H]5O)O)O[C@H](CO)[C@H]5O)c5)c([C@H](C(O)=O)NC([C@H]([C@@

Property Name	Property Value
Mol Name	Teicoplanin
Molweight	1879.67
Monoisotopic Mass	1877.55659
Clogp	-3.6377
Clogs	-13.087
H Acceptors	42
H Donors	24
Total Surface Area	1290.5
Relative Psa	0.39582
Polar Surface Area	662.41
Druglikeness	-31.274
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.25
Molecular Flexibility	0.27297
Molecular Complexity	1.155
Fragments	1
Non H Atoms	132
Non Ch Atoms	44
Electronegative Atoms	44
Stereo Centers	23
Rotatable Bonds	20
Rings Closures	14
Small Rings	10
Aromatic Rings	7
Aromatic Atoms	42
Sp3 Atoms	62
Amides	8
Amines	1
Alkyl Amines	1
Basic Nitrogens	1
Acidic Oxygens	1
Smiles	CCCCCCCCCC(N[C@H]([C@H]1O)[C@H](Oc(c(Oc(ccc(C[C@H](C(N[C@@H](c2cc(Oc(cc([C@H]3N)cc4)c4O)cc(O)c2)C(N[C@H]2C(N[C@H](c(cc4)cc(-c(c(O[C@H]([C@H]([C@H]5O)O)O[C@H](CO)[C@H]5O)c5)c([C@H](C(O)=O)NC([C@H]([C@@
InChIKey	InChI=1S/C88H97Cl2N9O33/c1-3-4-5-6-7-8-9-10-60(108)94-68-74(113)71(110)58(32-101)129-87(68)132-78-55-26-40-27-56(78)126-52-18-14-38(24-47(52)90)77(131-86-67(92-34(2)103)73(112)70(109)57(31-100)128-86)
InChI	BJNLLBUOHPVGFT-UCBVEQKXSA-N

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1 - Teicoplanin
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Teicoplanin