4-[4-(benzenesulfonyl)piperazin-1-yl]-4-oxo-N-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-5-yl)butanamide

Formula:C20H22N6O5S Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[4-(benzenesulfonyl)piperazin-1-yl]-4-oxo-N-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-5-yl)butanamide is not a drug-like molecule.

MolName	4-[4-(benzenesulfonyl)piperazin-1-yl]-4-oxo-N-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-5-yl)butanamide
MolecularFormula	C20H22N6O5S
Smiles	O=C(CCC(N(CC1)CCN1S(c1ccccc1)(=O)=O)=O)Nc(cc1)nc(N2)c1NC2=O
InChI	InChI=1S/C20H22N6O5S/c27-17(22-16-7-6-15-19(23-16)24-20(29)21-15)8-9-18(28)25-10-12-26(13-11-25)32(30,31)14-4-2-1-3-5-14/h1-7H,8-13H2,(H3,21,22,23,24,27,29)
InChIK	BWPOHTHQVBBSPK-UHFFFAOYSA-N
TotalMolweight	458.498
Molweight	458.498
MonoisotopicMass	458.137239
CLogP	0.757
CLogS	-3.317
H Acceptors	11
H Donors	3
TotalSurfaceArea	324.15
Relative PSA	0.37066
PolarSurfaceArea	149.19
Druglikeness	-1.5161
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.625
Fragments	1
Non HAtoms	32
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	7
Symmetricatoms	5
Amides	5
Aromatic Nitrogens	1
StereoCon

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