N-[(E)-1-[5-(3,4-dichlorophenyl)furan-2-yl]-3-(3-imidazol-1-ylpropylamino)-3-oxoprop-1-en-2-yl]benzamide

Formula:C26H22N4O3Cl2 Mutagenic:high Tumorigenic:high Reproductive Effective:none N-[(E)-1-[5-(3,4-dichlorophenyl)furan-2-yl]-3-(3-imidazol-1-ylpropylamino)-3-oxoprop-1-en-2-yl]benzamide is not a drug-like molecule.

MolName	N-[(E)-1-[5-(3,4-dichlorophenyl)furan-2-yl]-3-(3-imidazol-1-ylpropylamino)-3-oxoprop-1-en-2-yl]benzamide
MolecularFormula	C26H22N4O3Cl2
Smiles	O=C(/C(/NC(c1ccccc1)=O)=C\c1ccc(-c(cc2)cc(Cl)c2Cl)o1)NCCCn1cncc1
InChI	InChI=1S/C26H22Cl2N4O3/c27-21-9-7-19(15-22(21)28)24-10-8-20(35-24)16-23(31-25(33)18-5-2-1-3-6-18)26(34)30-11-4-13-32-14-12-29-17-32/h1-3,5-10,12,14-17H,4,11,13H2,(H,30,34)(H,31,33)
InChIK	HAAQSTITSQFWMX-UHFFFAOYSA-N
TotalMolweight	509.392
Molweight	509.392
MonoisotopicMass	508.106895
CLogP	4.9581
CLogS	-5.983
H Acceptors	7
H Donors	2
TotalSurfaceArea	385.44
Relative PSA	0.21002
PolarSurfaceArea	89.16
Druglikeness	6.9582
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.51429
Fragments	1
Non HAtoms	35
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	9
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	3
Symmetricatoms	2
Amides	2
Aromatic Nitrogens	2
BasicNitrogens	1
StereoCon

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1 - N-[(E)-1-[5-(3,4-dichlorophenyl)furan-2-yl]-3-(3-imidazol-1-ylpropylamino)-3-oxoprop-1-en-2-yl]benzamide | 2 - N-[(E)-1-[5-(3,4-dichlorophenyl)furan-2-yl]-3-(3-imidazol-1-ylpropylamino)-3-oxoprop-1-en-2-yl]benzamide

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