(E)-3-(1,3-benzodioxol-5-yl)-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)prop-2-enamide

Formula:C21H19N3O5S2 Mutagenic:none Tumorigenic:none Reproductive Effective:high (E)-3-(1,3-benzodioxol-5-yl)-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)prop-2-enamide is a drug-like molecule.

MolName	(E)-3-(1,3-benzodioxol-5-yl)-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)prop-2-enamide
MolecularFormula	C21H19N3O5S2
Smiles	O=C(/C=C/c(cc1)cc2c1OCO2)Nc1nc(ccc(S(N2CCCC2)(=O)=O)c2)c2s1
InChI	InChI=1S/C21H19N3O5S2/c25-20(8-4-14-3-7-17-18(11-14)29-13-28-17)23-21-22-16-6-5-15(12-19(16)30-21)31(26,27)24-9-1-2-10-24/h3-8,11-12H,1-2,9-10,13H2,(H,22,23,25)
InChIK	TZMAOWCZRPIGKE-UHFFFAOYSA-N
TotalMolweight	457.53
Molweight	457.53
MonoisotopicMass	457.076612
CLogP	3.9149
CLogS	-5.001
H Acceptors	8
H Donors	1
TotalSurfaceArea	318.71
Relative PSA	0.33874
PolarSurfaceArea	134.45
Druglikeness	2.1756
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.58065
Fragments	1
Non HAtoms	31
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	8
Symmetricatoms	3
Amides	2
Aromatic Nitrogens	1
StereoCon

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