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

Formula:C20H20N4O3 Mutagenic:high Tumorigenic:none Reproductive Effective:none N-[(E)-1-(furan-2-yl)-3-(3-imidazol-1-ylpropylamino)-3-oxoprop-1-en-2-yl]benzamide is a drug-like molecule.

MolName	N-[(E)-1-(furan-2-yl)-3-(3-imidazol-1-ylpropylamino)-3-oxoprop-1-en-2-yl]benzamide
MolecularFormula	C20H20N4O3
Smiles	O=C(/C(/NC(c1ccccc1)=O)=C\c1ccco1)NCCCn1cncc1
InChI	InChI=1S/C20H20N4O3/c25-19(16-6-2-1-3-7-16)23-18(14-17-8-4-13-27-17)20(26)22-9-5-11-24-12-10-21-15-24/h1-4,6-8,10,12-15H,5,9,11H2,(H,22,26)(H,23,25)
InChIK	NEJJIKMXHSDIAX-UHFFFAOYSA-N
TotalMolweight	364.404
Molweight	364.404
MonoisotopicMass	364.153541
CLogP	1.9959
CLogS	-2.733
H Acceptors	7
H Donors	2
TotalSurfaceArea	294.84
Relative PSA	0.27456
PolarSurfaceArea	89.16
Druglikeness	5.8796
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.55556
Fragments	1
Non HAtoms	27
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	3
Symmetricatoms	2
Amides	2
Aromatic Nitrogens	2
BasicNitrogens	1
StereoCon

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