(E)-N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-3-(furan-2-yl)prop-2-enamide

Formula:C18H18N2O2S Mutagenic:high Tumorigenic:none Reproductive Effective:none (E)-N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-3-(furan-2-yl)prop-2-enamide is a drug-like molecule.

MolName	(E)-N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-3-(furan-2-yl)prop-2-enamide
MolecularFormula	C18H18N2O2S
Smiles	N#Cc1c(NC(/C=C/c2ccco2)=O)sc2c1CCCCCC2
InChI	InChI=1S/C18H18N2O2S/c19-12-15-14-7-3-1-2-4-8-16(14)23-18(15)20-17(21)10-9-13-6-5-11-22-13/h5-6,9-11H,1-4,7-8H2,(H,20,21)
InChIK	KSULHPFICZBXLB-UHFFFAOYSA-N
TotalMolweight	326.419
Molweight	326.419
MonoisotopicMass	326.108898
CLogP	4.5762
CLogS	-5.745
H Acceptors	4
H Donors	1
TotalSurfaceArea	265.13
Relative PSA	0.27356
PolarSurfaceArea	94.27
Druglikeness	-7.6799
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.56522
Fragments	1
Non HAtoms	23
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	3
Rings Closures	3
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	10
Sp3Atoms	6
Amides	1
StereoCon

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1 - (E)-N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-3-(furan-2-yl)prop-2-enamide | 2 - (E)-N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-3-(furan-2-yl)prop-2-enamide

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