2-[3-[(Z)-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]hydrazinylidene]methyl]indol-1-yl]-N-(4-fluorophenyl)acetamide

Formula:C26H20N5O2FS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[3-[(Z)-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]hydrazinylidene]methyl]indol-1-yl]-N-(4-fluorophenyl)acetamide is not a drug-like molecule.

MolName	2-[3-[(Z)-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]hydrazinylidene]methyl]indol-1-yl]-N-(4-fluorophenyl)acetamide
MolecularFormula	C26H20N5O2FS2
Smiles	O=C(Cn1c(cccc2)c2c(/C=N\NC(CSc2nc(cccc3)c3s2)=O)c1)Nc(cc1)ccc1F
InChI	InChI=1S/C26H20FN5O2S2/c27-18-9-11-19(12-10-18)29-24(33)15-32-14-17(20-5-1-3-7-22(20)32)13-28-31-25(34)16-35-26-30-21-6-2-4-8-23(21)36-26/h1-14H,15-16H2,(H,29,33)(H,31,34)
InChIK	QWYICJZTWFMRDQ-UHFFFAOYSA-N
TotalMolweight	517.608
Molweight	517.608
MonoisotopicMass	517.104243
CLogP	4.8314
CLogS	-6.58
H Acceptors	7
H Donors	2
TotalSurfaceArea	380.42
Relative PSA	0.30545
PolarSurfaceArea	141.92
Druglikeness	5.7467
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.61111
Fragments	1
Non HAtoms	36
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	8
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	24
Sp3Atoms	3
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	2
StereoCon

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