3,5-dibromo-N-[(Z)-[1-[2-(4-fluoroanilino)-2-oxoethyl]indol-3-yl]methylideneamino]-2-hydroxybenzamide

Formula:C24H17N4O3Br2F Mutagenic:none Tumorigenic:none Reproductive Effective:high 3,5-dibromo-N-[(Z)-[1-[2-(4-fluoroanilino)-2-oxoethyl]indol-3-yl]methylideneamino]-2-hydroxybenzamide is not a drug-like molecule.

MolName	3,5-dibromo-N-[(Z)-[1-[2-(4-fluoroanilino)-2-oxoethyl]indol-3-yl]methylideneamino]-2-hydroxybenzamide
MolecularFormula	C24H17N4O3Br2F
Smiles	Oc(c(C(N/N=C\c1cn(CC(Nc(cc2)ccc2F)=O)c2c1cccc2)=O)cc(Br)c1)c1Br
InChI	InChI=1S/C24H17Br2FN4O3/c25-15-9-19(23(33)20(26)10-15)24(34)30-28-11-14-12-31(21-4-2-1-3-18(14)21)13-22(32)29-17-7-5-16(27)6-8-17/h1-12,33H,13H2,(H,29,32)(H,30,34)
InChIK	BBWAUZVSQALDBP-UHFFFAOYSA-N
TotalMolweight	588.23
Molweight	588.23
MonoisotopicMass	585.965141
CLogP	5.2214
CLogS	-6.574
H Acceptors	7
H Donors	3
TotalSurfaceArea	363.48
Relative PSA	0.22142
PolarSurfaceArea	95.72
Druglikeness	3.6083
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.55882
Fragments	1
Non HAtoms	34
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	2
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	1
StereoCon

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