[6-[4-(5,7-dihydroxy-4-oxochromen-3-yl)phenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 6-aminohexanoate

Formula:C27H31NO11 Mutagenic:none Tumorigenic:none Reproductive Effective:high [6-[4-(5,7-dihydroxy-4-oxochromen-3-yl)phenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 6-aminohexanoate is not a drug-like molecule.

MolName	[6-[4-(5,7-dihydroxy-4-oxochromen-3-yl)phenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 6-aminohexanoate
MolecularFormula	C27H31NO11
Smiles	NCCCCCC(OCC(C(C(C1O)O)O)OC1Oc(cc1)ccc1C1=COc(cc(cc2O)O)c2C1=O)=O
InChI	InChI=1S/C27H31NO11/c28-9-3-1-2-4-21(31)37-13-20-24(33)25(34)26(35)27(39-20)38-16-7-5-14(6-8-16)17-12-36-19-11-15(29)10-18(30)22(19)23(17)32/h5-8,10-12,20,24-27,29-30,33-35H,1-4,9,13,28H2
InChIK	FYZDYCPLLSEHER-UHFFFAOYSA-N
TotalMolweight	545.539
Molweight	545.539
MonoisotopicMass	545.189714
CLogP	0.6156
CLogS	-3.672
H Acceptors	12
H Donors	6
TotalSurfaceArea	391.56
Relative PSA	0.37504
PolarSurfaceArea	198.23
Druglikeness	-13.569
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.61538
Fragments	1
Non HAtoms	39
NonCHAtoms	12
Electronegative Atoms	12
StereoCenters	5
Rotatable Bond	11
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	21
Symmetricatoms	2
Amines	1
AlkylAmines	1
BasicNitrogens	1
StereoCon	unknown chirality

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1 - [6-[4-(5,7-dihydroxy-4-oxochromen-3-yl)phenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 6-aminohexanoate | 2 - [6-[4-(5,7-dihydroxy-4-oxochromen-3-yl)phenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 6-aminohexanoate

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