(E)-3-(furan-2-yl)-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]prop-2-enamide

Formula:C19H21N3O4S Mutagenic:high Tumorigenic:none Reproductive Effective:none (E)-3-(furan-2-yl)-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]prop-2-enamide is a drug-like molecule.

MolName	(E)-3-(furan-2-yl)-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]prop-2-enamide
MolecularFormula	C19H21N3O4S
Smiles	O=C(/C=C/c1ccco1)Nc1cccc(S(NC2=NCCCCC2)(=O)=O)c1
InChI	InChI=1S/C19H21N3O4S/c23-19(11-10-16-7-5-13-26-16)21-15-6-4-8-17(14-15)27(24,25)22-18-9-2-1-3-12-20-18/h4-8,10-11,13-14H,1-3,9,12H2,(H,20,22)(H,21,23)
InChIK	KBTQEKLCRKJFOU-UHFFFAOYSA-N
TotalMolweight	387.459
Molweight	387.459
MonoisotopicMass	387.125277
CLogP	2.2329
CLogS	-3.997
H Acceptors	7
H Donors	2
TotalSurfaceArea	296.73
Relative PSA	0.30385
PolarSurfaceArea	109.15
Druglikeness	-7.3301
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.59259
Fragments	1
Non HAtoms	27
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	6
Symmetricatoms	1
Amides	2
BasicNitrogens	1
StereoCon

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