(E)-3-(1,3-benzodioxol-5-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide

Formula:C20H16N4O5S Mutagenic:none Tumorigenic:none Reproductive Effective:high (E)-3-(1,3-benzodioxol-5-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide is a drug-like molecule.

MolName	(E)-3-(1,3-benzodioxol-5-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide
MolecularFormula	C20H16N4O5S
Smiles	O=C(/C=C/c(cc1)cc2c1OCO2)Nc(cc1)ccc1S(Nc1ncccn1)(=O)=O
InChI	InChI=1S/C20H16N4O5S/c25-19(9-3-14-2-8-17-18(12-14)29-13-28-17)23-15-4-6-16(7-5-15)30(26,27)24-20-21-10-1-11-22-20/h1-12H,13H2,(H,23,25)(H,21,22,24)
InChIK	JBAFMMISVXLJAK-UHFFFAOYSA-N
TotalMolweight	424.436
Molweight	424.436
MonoisotopicMass	424.084141
CLogP	2.3531
CLogS	-4.809
H Acceptors	9
H Donors	2
TotalSurfaceArea	306.31
Relative PSA	0.34762
PolarSurfaceArea	127.89
Druglikeness	3.8008
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.63333
Fragments	1
Non HAtoms	30
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	4
Symmetricatoms	5
Amides	2
Aromatic Nitrogens	2
StereoCon

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