[(Z)-[(4S)-4-[(2,2,2-trifluoroacetyl)amino]-4,5-dihydrocyclopenta[b]thiophen-6-ylidene]amino] furan-2-carboxylate

Formula:C14H9N2O4F3S Mutagenic:high Tumorigenic:none Reproductive Effective:none [(Z)-[(4S)-4-[(2,2,2-trifluoroacetyl)amino]-4,5-dihydrocyclopenta[b]thiophen-6-ylidene]amino] furan-2-carboxylate is a drug-like molecule.

MolName	[(Z)-[(4S)-4-[(2,2,2-trifluoroacetyl)amino]-4,5-dihydrocyclopenta[b]thiophen-6-ylidene]amino] furan-2-carboxylate
MolecularFormula	C14H9N2O4F3S
Smiles	O=C(C(F)(F)F)N[C@@H](C/C1=N/OC(c2ccco2)=O)c2c1scc2
InChI	InChI=1S/C14H9F3N2O4S/c15-14(16,17)13(21)18-8-6-9(11-7(8)3-5-24-11)19-23-12(20)10-2-1-4-22-10/h1-5,8H,6H2,(H,18,21)/t8-/m1/s1
InChIK	DJDADXMOWFEWMK-MRVPVSSYSA-N
TotalMolweight	358.295
Molweight	358.295
MonoisotopicMass	358.023512
CLogP	3.0728
CLogS	-4.608
H Acceptors	6
H Donors	1
TotalSurfaceArea	240.8
Relative PSA	0.38837
PolarSurfaceArea	109.14
Druglikeness	-25.731
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.54167
Fragments	1
Non HAtoms	24
NonCHAtoms	10
Electronegative Atoms	10
StereoCenters	1
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	10
Sp3Atoms	4
Symmetricatoms	2
Amides	1
StereoCon	this enantiomer

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1 - [(Z)-[(4S)-4-[(2,2,2-trifluoroacetyl)amino]-4,5-dihydrocyclopenta[b]thiophen-6-ylidene]amino] furan-2-carboxylate | 2 - [(Z)-[(4S)-4-[(2,2,2-trifluoroacetyl)amino]-4,5-dihydrocyclopenta[b]thiophen-6-ylidene]amino] furan-2-carboxylate

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