N-[(Z)-[1-[2-(4-fluoroanilino)-2-oxoethyl]indol-3-yl]methylideneamino]thiophene-2-carboxamide

Formula:C22H17N4O2FS Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-[1-[2-(4-fluoroanilino)-2-oxoethyl]indol-3-yl]methylideneamino]thiophene-2-carboxamide is a drug-like molecule.

MolName	N-[(Z)-[1-[2-(4-fluoroanilino)-2-oxoethyl]indol-3-yl]methylideneamino]thiophene-2-carboxamide
MolecularFormula	C22H17N4O2FS
Smiles	O=C(Cn1c(cccc2)c2c(/C=N\NC(c2cccs2)=O)c1)Nc(cc1)ccc1F
InChI	InChI=1S/C22H17FN4O2S/c23-16-7-9-17(10-8-16)25-21(28)14-27-13-15(18-4-1-2-5-19(18)27)12-24-26-22(29)20-6-3-11-30-20/h1-13H,14H2,(H,25,28)(H,26,29)
InChIK	YARWGCOVBCYVKE-UHFFFAOYSA-N
TotalMolweight	420.467
Molweight	420.467
MonoisotopicMass	420.105624
CLogP	3.9833
CLogS	-5.212
H Acceptors	6
H Donors	2
TotalSurfaceArea	315.81
Relative PSA	0.27783
PolarSurfaceArea	103.73
Druglikeness	6.8809
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.6
Fragments	1
Non HAtoms	30
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	20
Sp3Atoms	1
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	1
StereoCon

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