(E)-N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(4-fluorophenyl)prop-2-enamide

Formula:C21H23N2O3FS Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(4-fluorophenyl)prop-2-enamide is a drug-like molecule.

MolName	(E)-N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(4-fluorophenyl)prop-2-enamide
MolecularFormula	C21H23N2O3FS
Smiles	O=C(/C=C/c(cc1)ccc1F)Nc(cc1)ccc1S(N1CCCCCC1)(=O)=O
InChI	InChI=1S/C21H23FN2O3S/c22-18-8-5-17(6-9-18)7-14-21(25)23-19-10-12-20(13-11-19)28(26,27)24-15-3-1-2-4-16-24/h5-14H,1-4,15-16H2,(H,23,25)
InChIK	SXDMSQMXMGCBLK-UHFFFAOYSA-N
TotalMolweight	402.489
Molweight	402.489
MonoisotopicMass	402.141341
CLogP	3.7859
CLogS	-4.177
H Acceptors	5
H Donors	1
TotalSurfaceArea	303.02
Relative PSA	0.18689
PolarSurfaceArea	74.86
Druglikeness	-1.5942
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.64286
Fragments	1
Non HAtoms	28
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	7
Symmetricatoms	8
Amides	2
StereoCon

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