N-[(E)-3-[bis(2-hydroxyethyl)amino]-1-(4-bromophenyl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide

Formula:C18H19N2O5Br Mutagenic:high Tumorigenic:high Reproductive Effective:low N-[(E)-3-[bis(2-hydroxyethyl)amino]-1-(4-bromophenyl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide is a drug-like molecule.

MolName	N-[(E)-3-[bis(2-hydroxyethyl)amino]-1-(4-bromophenyl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
MolecularFormula	C18H19N2O5Br
Smiles	OCCN(CCO)C(/C(/NC(c1ccco1)=O)=C\c(cc1)ccc1Br)=O
InChI	InChI=1S/C18H19BrN2O5/c19-14-5-3-13(4-6-14)12-15(18(25)21(7-9-22)8-10-23)20-17(24)16-2-1-11-26-16/h1-6,11-12,22-23H,7-10H2,(H,20,24)
InChIK	FTYDYDHDAFJYFD-UHFFFAOYSA-N
TotalMolweight	423.262
Molweight	423.262
MonoisotopicMass	422.047734
CLogP	1.8547
CLogS	-3.106
H Acceptors	7
H Donors	3
TotalSurfaceArea	291.05
Relative PSA	0.27968
PolarSurfaceArea	103.01
Druglikeness	3.5996
Mutagenic	high
Tumorigenic	high
Reproductive Effective	low
Irritant	low
Nasty Functions
Shape Index	0.46154
Fragments	1
Non HAtoms	26
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	8
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	6
Symmetricatoms	5
Amides	2
StereoCon

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