(E)-1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-en-1-one

Formula:C23H25NO5S Mutagenic:none Tumorigenic:low Reproductive Effective:low (E)-1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-en-1-one
MolecularFormula	C23H25NO5S
Smiles	O=C(/C=C/c(cc1)cc2c1OCCO2)c(cc1)ccc1S(N1CCCCCC1)(=O)=O
InChI	InChI=1S/C23H25NO5S/c25-21(11-5-18-6-12-22-23(17-18)29-16-15-28-22)19-7-9-20(10-8-19)30(26,27)24-13-3-1-2-4-14-24/h5-12,17H,1-4,13-16H2
InChIK	OIIMLMNBVXEGLU-UHFFFAOYSA-N
TotalMolweight	427.52
Molweight	427.52
MonoisotopicMass	427.145344
CLogP	3.8314
CLogS	-4.387
H Acceptors	6
TotalSurfaceArea	319.23
Relative PSA	0.20415
PolarSurfaceArea	81.29
Druglikeness	-6.9753
Mutagenic	none
Tumorigenic	low
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.6
Fragments	1
Non HAtoms	30
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	11
Symmetricatoms	6
Amides	1
StereoCon

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