(E)-N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide

Formula:C22H25N3O8S Mutagenic:high Tumorigenic:none Reproductive Effective:high (E)-N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide is not a drug-like molecule.

MolName	(E)-N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
MolecularFormula	C22H25N3O8S
Smiles	[O-][N+](c1ccc(C(C(CO)NC(/C=C/c(cc2)ccc2S(N2CCOCC2)(=O)=O)=O)O)cc1)=O
InChI	InChI=1S/C22H25N3O8S/c26-15-20(22(28)17-4-6-18(7-5-17)25(29)30)23-21(27)10-3-16-1-8-19(9-2-16)34(31,32)24-11-13-33-14-12-24/h1-10,20,22,26,28H,11-15H2,(H,23,27)
InChIK	DZUSNOPVGIMEFW-UHFFFAOYSA-N
TotalMolweight	491.52
Molweight	491.52
MonoisotopicMass	491.136237
CLogP	-0.2405
CLogS	-2.415
H Acceptors	11
H Donors	3
TotalSurfaceArea	354.28
Relative PSA	0.34789
PolarSurfaceArea	170.37
Druglikeness	-4.9307
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.61765
Fragments	1
Non HAtoms	34
NonCHAtoms	12
Electronegative Atoms	12
StereoCenters	2
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	12
Symmetricatoms	7
Amides	2
AcidicOxygens	1
StereoCon	unknown chirality

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