[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate

Formula:C17H12N2O5S Mutagenic:none Tumorigenic:none Reproductive Effective:high [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate is a drug-like molecule.

MolName	[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate
MolecularFormula	C17H12N2O5S
Smiles	N#Cc1c(NC(COC(/C=C/c(cc2)cc3c2OCO3)=O)=O)scc1
InChI	InChI=1S/C17H12N2O5S/c18-8-12-5-6-25-17(12)19-15(20)9-22-16(21)4-2-11-1-3-13-14(7-11)24-10-23-13/h1-7H,9-10H2,(H,19,20)
InChIK	HPKMUNKAHHXOGH-UHFFFAOYSA-N
TotalMolweight	356.357
Molweight	356.357
MonoisotopicMass	356.046693
CLogP	2.6152
CLogS	-4.935
H Acceptors	7
H Donors	1
TotalSurfaceArea	268.15
Relative PSA	0.37837
PolarSurfaceArea	125.89
Druglikeness	-3.3534
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.64
Fragments	1
Non HAtoms	25
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	5
Amides	1
StereoCon

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