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

Formula:C21H22N3O3FS Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(4-fluorophenyl)-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]prop-2-enamide is a drug-like molecule.

MolName	(E)-3-(4-fluorophenyl)-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]prop-2-enamide
MolecularFormula	C21H22N3O3FS
Smiles	O=C(/C=C/c(cc1)ccc1F)Nc1cccc(S(NC2=NCCCCC2)(=O)=O)c1
InChI	InChI=1S/C21H22FN3O3S/c22-17-11-8-16(9-12-17)10-13-21(26)24-18-5-4-6-19(15-18)29(27,28)25-20-7-2-1-3-14-23-20/h4-6,8-13,15H,1-3,7,14H2,(H,23,25)(H,24,26)
InChIK	GEPIPZNWZSPKEW-UHFFFAOYSA-N
TotalMolweight	415.488
Molweight	415.488
MonoisotopicMass	415.13659
CLogP	3.145
CLogS	-4.629
H Acceptors	6
H Donors	2
TotalSurfaceArea	313.39
Relative PSA	0.24267
PolarSurfaceArea	96.01
Druglikeness	-8.3529
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.62069
Fragments	1
Non HAtoms	29
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Symmetricatoms	3
Amides	2
BasicNitrogens	1
StereoCon

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