(E)-2-cyano-N-(3-piperidin-1-ylsulfonylphenyl)-3-pyridin-4-ylprop-2-enamide

Formula:C20H20N4O3S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-cyano-N-(3-piperidin-1-ylsulfonylphenyl)-3-pyridin-4-ylprop-2-enamide is a drug-like molecule.

MolName	(E)-2-cyano-N-(3-piperidin-1-ylsulfonylphenyl)-3-pyridin-4-ylprop-2-enamide
MolecularFormula	C20H20N4O3S
Smiles	N#C/C(/C(Nc1cccc(S(N2CCCCC2)(=O)=O)c1)=O)=C\c1ccncc1
InChI	InChI=1S/C20H20N4O3S/c21-15-17(13-16-7-9-22-10-8-16)20(25)23-18-5-4-6-19(14-18)28(26,27)24-11-2-1-3-12-24/h4-10,13-14H,1-3,11-12H2,(H,23,25)
InChIK	DAPZPGXZJQJNSZ-UHFFFAOYSA-N
TotalMolweight	396.47
Molweight	396.47
MonoisotopicMass	396.125611
CLogP	2.1942
CLogS	-3.07
H Acceptors	7
H Donors	1
TotalSurfaceArea	301.59
Relative PSA	0.26911
PolarSurfaceArea	111.54
Druglikeness	-6.6725
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions	twice activated DB
Shape Index	0.57143
Fragments	1
Non HAtoms	28
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Symmetricatoms	5
Amides	2
Aromatic Nitrogens	1
StereoCon

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