N-[(E)-1-[5-(2-chloropyridin-3-yl)furan-2-yl]-3-(3-hydroxypropylamino)-3-oxoprop-1-en-2-yl]benzamide

Formula:C22H20N3O4Cl Mutagenic:high Tumorigenic:high Reproductive Effective:none N-[(E)-1-[5-(2-chloropyridin-3-yl)furan-2-yl]-3-(3-hydroxypropylamino)-3-oxoprop-1-en-2-yl]benzamide is a drug-like molecule.

MolName	N-[(E)-1-[5-(2-chloropyridin-3-yl)furan-2-yl]-3-(3-hydroxypropylamino)-3-oxoprop-1-en-2-yl]benzamide
MolecularFormula	C22H20N3O4Cl
Smiles	OCCCNC(/C(/NC(c1ccccc1)=O)=C\c1ccc(-c2cccnc2Cl)o1)=O
InChI	InChI=1S/C22H20ClN3O4/c23-20-17(8-4-11-24-20)19-10-9-16(30-19)14-18(22(29)25-12-5-13-27)26-21(28)15-6-2-1-3-7-15/h1-4,6-11,14,27H,5,12-13H2,(H,25,29)(H,26,28)
InChIK	MJXXABPSFKJXEP-UHFFFAOYSA-N
TotalMolweight	425.871
Molweight	425.871
MonoisotopicMass	425.114234
CLogP	3.2905
CLogS	-4.593
H Acceptors	7
H Donors	3
TotalSurfaceArea	327.41
Relative PSA	0.26627
PolarSurfaceArea	104.46
Druglikeness	2.641
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	30
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	4
Symmetricatoms	2
Amides	2
Aromatic Nitrogens	1
StereoCon

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