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

Formula:C17H15N2O6Br Mutagenic:none Tumorigenic:none Reproductive Effective:high N-[(E)-1-(1,3-benzodioxol-5-yl)-3-(2-hydroxyethylamino)-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-(2-hydroxyethylamino)-3-oxoprop-1-en-2-yl]-5-bromofuran-2-carboxamide
MolecularFormula	C17H15N2O6Br
Smiles	OCCNC(/C(/NC(c(o1)ccc1Br)=O)=C\c(cc1)cc2c1OCO2)=O
InChI	InChI=1S/C17H15BrN2O6/c18-15-4-3-13(26-15)17(23)20-11(16(22)19-5-6-21)7-10-1-2-12-14(8-10)25-9-24-12/h1-4,7-8,21H,5-6,9H2,(H,19,22)(H,20,23)
InChIK	DZLILUXCSFFDJA-UHFFFAOYSA-N
TotalMolweight	423.218
Molweight	423.218
MonoisotopicMass	422.011349
CLogP	2.3174
CLogS	-4.149
H Acceptors	8
H Donors	3
TotalSurfaceArea	278.6
Relative PSA	0.34533
PolarSurfaceArea	110.03
Druglikeness	1.2062
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	26
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	6
Amides	2
StereoCon

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