2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(Z)-[1-[(2-fluorophenyl)methyl]indol-3-yl]methylideneamino]acetamide

Formula:C20H17N6OFS Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(Z)-[1-[(2-fluorophenyl)methyl]indol-3-yl]methylideneamino]acetamide is a drug-like molecule.

MolName	2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(Z)-[1-[(2-fluorophenyl)methyl]indol-3-yl]methylideneamino]acetamide
MolecularFormula	C20H17N6OFS
Smiles	Nc1nnc(CC(N/N=C\c2cn(Cc(cccc3)c3F)c3c2cccc3)=O)s1
InChI	InChI=1S/C20H17FN6OS/c21-16-7-3-1-5-13(16)11-27-12-14(15-6-2-4-8-17(15)27)10-23-24-18(28)9-19-25-26-20(22)29-19/h1-8,10,12H,9,11H2,(H2,22,26)(H,24,28)
InChIK	QACOBIIFMMBERY-UHFFFAOYSA-N
TotalMolweight	408.46
Molweight	408.46
MonoisotopicMass	408.116857
CLogP	2.9959
CLogS	-4.261
H Acceptors	7
H Donors	2
TotalSurfaceArea	306.4
Relative PSA	0.32784
PolarSurfaceArea	126.43
Druglikeness	5.991
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.58621
Fragments	1
Non HAtoms	29
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	20
Sp3Atoms	2
Aromatic Nitrogens	3
StereoCon

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