1-(2-chlorophenothiazin-10-yl)-2-[3-[(Z)-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]indol-1-yl]ethanone

Formula:C36H36N9OClS Mutagenic:high Tumorigenic:high Reproductive Effective:high 1-(2-chlorophenothiazin-10-yl)-2-[3-[(Z)-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]indol-1-yl]ethanone is not a drug-like molecule.

MolName	1-(2-chlorophenothiazin-10-yl)-2-[3-[(Z)-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]indol-1-yl]ethanone
MolecularFormula	C36H36N9OClS
Smiles	O=C(Cn1c(cccc2)c2c(/C=N\Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)c1)N1c(cc(cc2)Cl)c2Sc2c1cccc2
InChI	InChI=1S/C36H36ClN9OS/c37-26-15-16-32-30(21-26)46(29-13-5-6-14-31(29)48-32)33(47)24-45-23-25(27-11-3-4-12-28(27)45)22-38-42-34-39-35(43-17-7-1-8-18-43)41-36(40-34)44-19-9-2-10-20-44/h3-6,11-16,21-23H,1-2,7-10,17-20,24H2,(H,39,40,41,42)
InChIK	MODMFYUEQJWIAT-UHFFFAOYSA-N
TotalMolweight	678.263
Molweight	678.263
MonoisotopicMass	677.245203
CLogP	9.8889
CLogS	-9.918
H Acceptors	10
H Donors	1
TotalSurfaceArea	501.26
Relative PSA	0.20734
PolarSurfaceArea	120.08
Druglikeness	3.9481
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.41667
Fragments	1
Non HAtoms	48
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	7
Rings Closures	8
Small Rings	8
Aromatic Rings	5
Aromatic Atoms	27
Sp3Atoms	12
Symmetricatoms	10
Amides	1
Aromatic Nitrogens	4
BasicNitrogens	3
StereoCon

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1 - 1-(2-chlorophenothiazin-10-yl)-2-[3-[(Z)-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]indol-1-yl]ethanone | 2 - 1-(2-chlorophenothiazin-10-yl)-2-[3-[(Z)-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]indol-1-yl]ethanone

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