N-[(E)-1-(1,3-benzodioxol-5-yl)-3-(3-hydroxypropylamino)-3-oxoprop-1-en-2-yl]-5-bromofuran-2-carboxamide

Formula:C18H17N2O6Br Mutagenic:none Tumorigenic:none Reproductive Effective:high N-[(E)-1-(1,3-benzodioxol-5-yl)-3-(3-hydroxypropylamino)-3-oxoprop-1-en-2-yl]-5-bromofuran-2-carboxamide is a drug-like molecule.

MolName	N-[(E)-1-(1,3-benzodioxol-5-yl)-3-(3-hydroxypropylamino)-3-oxoprop-1-en-2-yl]-5-bromofuran-2-carboxamide
MolecularFormula	C18H17N2O6Br
Smiles	OCCCNC(/C(/NC(c(o1)ccc1Br)=O)=C\c(cc1)cc2c1OCO2)=O
InChI	InChI=1S/C18H17BrN2O6/c19-16-5-4-14(27-16)18(24)21-12(17(23)20-6-1-7-22)8-11-2-3-13-15(9-11)26-10-25-13/h2-5,8-9,22H,1,6-7,10H2,(H,20,23)(H,21,24)
InChIK	QFISAMYTQFIFNV-UHFFFAOYSA-N
TotalMolweight	437.245
Molweight	437.245
MonoisotopicMass	436.026999
CLogP	2.7718
CLogS	-4.419
H Acceptors	8
H Donors	3
TotalSurfaceArea	292.36
Relative PSA	0.32908
PolarSurfaceArea	110.03
Druglikeness	-0.60124
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.48148
Fragments	1
Non HAtoms	27
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	7
Amides	2
StereoCon

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