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

Formula:C18H18N4O3S Mutagenic:high Tumorigenic:none Reproductive Effective:none N-[(E)-1-(furan-2-yl)-3-(3-imidazol-1-ylpropylamino)-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide is a drug-like molecule.

MolName	N-[(E)-1-(furan-2-yl)-3-(3-imidazol-1-ylpropylamino)-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide
MolecularFormula	C18H18N4O3S
Smiles	O=C(/C(/NC(c1cccs1)=O)=C\c1ccco1)NCCCn1cncc1
InChI	InChI=1S/C18H18N4O3S/c23-17(20-6-3-8-22-9-7-19-13-22)15(12-14-4-1-10-25-14)21-18(24)16-5-2-11-26-16/h1-2,4-5,7,9-13H,3,6,8H2,(H,20,23)(H,21,24)
InChIK	YLSLYBAFHUDSRB-UHFFFAOYSA-N
TotalMolweight	370.432
Molweight	370.432
MonoisotopicMass	370.109961
CLogP	1.8625
CLogS	-2.743
H Acceptors	7
H Donors	2
TotalSurfaceArea	290.78
Relative PSA	0.34841
PolarSurfaceArea	117.4
Druglikeness	7.2269
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.53846
Fragments	1
Non HAtoms	26
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	3
Amides	2
Aromatic Nitrogens	2
BasicNitrogens	1
StereoCon

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