N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-4-morpholin-4-yl-6-(1,3-oxazinan-3-yl)-1,3,5-triazin-2-amine

Formula:C22H23N7O3Cl2 Mutagenic:high Tumorigenic:high Reproductive Effective:high N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-4-morpholin-4-yl-6-(1,3-oxazinan-3-yl)-1,3,5-triazin-2-amine is not a drug-like molecule.

MolName	N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-4-morpholin-4-yl-6-(1,3-oxazinan-3-yl)-1,3,5-triazin-2-amine
MolecularFormula	C22H23N7O3Cl2
Smiles	Clc(ccc(-c1ccc(/C=N\Nc2nc(N3COCCC3)nc(N3CCOCC3)n2)o1)c1)c1Cl
InChI	InChI=1S/C22H23Cl2N7O3/c23-17-4-2-15(12-18(17)24)19-5-3-16(34-19)13-25-29-20-26-21(30-7-10-32-11-8-30)28-22(27-20)31-6-1-9-33-14-31/h2-5,12-13H,1,6-11,14H2,(H,26,27,28,29)
InChIK	YYUOURGGNHQKLR-UHFFFAOYSA-N
TotalMolweight	504.377
Molweight	504.377
MonoisotopicMass	503.123942
CLogP	6.226
CLogS	-7.272
H Acceptors	10
H Donors	1
TotalSurfaceArea	369.49
Relative PSA	0.26277
PolarSurfaceArea	101.14
Druglikeness	5.1161
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.52941
Fragments	1
Non HAtoms	34
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	10
Symmetricatoms	2
Aromatic Nitrogens	3
BasicNitrogens	3
StereoCon

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1 - N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-4-morpholin-4-yl-6-(1,3-oxazinan-3-yl)-1,3,5-triazin-2-amine | 2 - N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-4-morpholin-4-yl-6-(1,3-oxazinan-3-yl)-1,3,5-triazin-2-amine

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