4-bromo-N-[(E)-1-(furan-2-yl)-3-(3-hydroxypropylamino)-3-oxoprop-1-en-2-yl]benzamide

Formula:C17H17N2O4Br Mutagenic:high Tumorigenic:none Reproductive Effective:none 4-bromo-N-[(E)-1-(furan-2-yl)-3-(3-hydroxypropylamino)-3-oxoprop-1-en-2-yl]benzamide is a drug-like molecule.

MolName	4-bromo-N-[(E)-1-(furan-2-yl)-3-(3-hydroxypropylamino)-3-oxoprop-1-en-2-yl]benzamide
MolecularFormula	C17H17N2O4Br
Smiles	OCCCNC(/C(/NC(c(cc1)ccc1Br)=O)=C\c1ccco1)=O
InChI	InChI=1S/C17H17BrN2O4/c18-13-6-4-12(5-7-13)16(22)20-15(11-14-3-1-10-24-14)17(23)19-8-2-9-21/h1,3-7,10-11,21H,2,8-9H2,(H,19,23)(H,20,22)
InChIK	GZYNNFUUYZUACK-UHFFFAOYSA-N
TotalMolweight	393.236
Molweight	393.236
MonoisotopicMass	392.037169
CLogP	2.563
CLogS	-3.945
H Acceptors	6
H Donors	3
TotalSurfaceArea	272.1
Relative PSA	0.28008
PolarSurfaceArea	91.57
Druglikeness	-0.32813
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.58333
Fragments	1
Non HAtoms	24
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	7
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	4
Symmetricatoms	2
Amides	2
StereoCon

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