4-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)methyl]-6,7-dihydroxychromen-2-one

Formula:C18H15NO6 Mutagenic:none Tumorigenic:none Reproductive Effective:high 4-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)methyl]-6,7-dihydroxychromen-2-one is a drug-like molecule.

MolName	4-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)methyl]-6,7-dihydroxychromen-2-one
MolecularFormula	C18H15NO6
Smiles	Oc(c(O)c1)cc(C(CNc(cc2)cc3c2OCCO3)=C2)c1OC2=O
InChI	InChI=1S/C18H15NO6/c20-13-7-12-10(5-18(22)25-16(12)8-14(13)21)9-19-11-1-2-15-17(6-11)24-4-3-23-15/h1-2,5-8,19-21H,3-4,9H2
InChIK	ULZCBZPJOZCEIB-UHFFFAOYSA-N
TotalMolweight	341.318
Molweight	341.318
MonoisotopicMass	341.089939
CLogP	1.5987
CLogS	-2.681
H Acceptors	7
H Donors	3
TotalSurfaceArea	243.92
Relative PSA	0.33085
PolarSurfaceArea	97.25
Druglikeness	-7.9865
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.56
Fragments	1
Non HAtoms	25
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	8
Amines	1
Aromatic Amines	1
StereoCon

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1 - 4-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)methyl]-6,7-dihydroxychromen-2-one | 2 - 4-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)methyl]-6,7-dihydroxychromen-2-one

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