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Compound 175
  CheckMol                        TMF02:r0:m0
MF=C72H101N17O26 MW=1620.69
115118  0  5  1               999 V2000
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M  END

Daptomycin

₹ 0.00 0.00

Chemical Name - Daptomycin
Mol Weight - 1620.69
Smiles - CCCCCCCCCC(N[C@@H](Cc1c[nH]c2c1cccc2)C(N[C@@H](CC(N)=O)C(N[C@@H](CC(O)=O)C(NC(C(C)OC([C@H](CC(c(cccc1)c1N)=O)NC([C@H](C(C)CC(O)=O)NC([C@@H](CO)NC(CNC([C@H](CC(O)=O)NC([C@@H](C)NC([C@H](CC(O)=O)NC([C@H

Property Name	Property Value
Mol Name	Daptomycin
Molweight	1620.69
Monoisotopic Mass	1619.71037
Clogp	-9.499
Clogs	-6.255
H Acceptors	43
H Donors	22
Total Surface Area	1215.5
Relative Psa	0.44845
Polar Surface Area	702.02
Druglikeness	-17.937
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.33913
Molecular Flexibility	0.47725
Molecular Complexity	1.0149
Fragments	1
Non H Atoms	115
Non Ch Atoms	43
Electronegative Atoms	43
Stereo Centers	13
Rotatable Bonds	35
Rings Closures	4
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	15
Sp3 Atoms	45
Amides	14
Amines	2
Alkyl Amines	1
Aromatic Amines	1
Aromatic Nitrogens	1
Basic Nitrogens	1
Acidic Oxygens	4
Smiles	CCCCCCCCCC(N[C@@H](Cc1c[nH]c2c1cccc2)C(N[C@@H](CC(N)=O)C(N[C@@H](CC(O)=O)C(NC(C(C)OC([C@H](CC(c(cccc1)c1N)=O)NC([C@H](C(C)CC(O)=O)NC([C@@H](CO)NC(CNC([C@H](CC(O)=O)NC([C@@H](C)NC([C@H](CC(O)=O)NC([C@H
InChIKey	InChI=1S/C72H101N17O26/c1-5-6-7-8-9-10-11-22-53(93)81-44(25-38-31-76-42-20-15-13-17-39(38)42)66(108)84-45(27-52(75)92)67(109)86-48(30-59(102)103)68(110)89-61-37(4)115-72(114)49(26-51(91)40-18-12-14-19
InChI	DOAKLVKFURWEDJ-YCBPKLOPSA-N

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Daptomycin