4-N-benzyl-2-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine

Formula:C21H21N7OCl2 Mutagenic:high Tumorigenic:none Reproductive Effective:high 4-N-benzyl-2-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine is not a drug-like molecule.

MolName	4-N-benzyl-2-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
MolecularFormula	C21H21N7OCl2
Smiles	Clc1cc(Cl)c(/C=N\Nc2nc(N3CCOCC3)nc(NCc3ccccc3)n2)cc1
InChI	InChI=1S/C21H21Cl2N7O/c22-17-7-6-16(18(23)12-17)14-25-29-20-26-19(24-13-15-4-2-1-3-5-15)27-21(28-20)30-8-10-31-11-9-30/h1-7,12,14H,8-11,13H2,(H2,24,26,27,28,29)
InChIK	HLVODIAZXVFOBI-UHFFFAOYSA-N
TotalMolweight	458.352
Molweight	458.352
MonoisotopicMass	457.118462
CLogP	6.2086
CLogS	-6.293
H Acceptors	8
H Donors	2
TotalSurfaceArea	343.18
Relative PSA	0.23571
PolarSurfaceArea	87.56
Druglikeness	3.5079
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.54839
Fragments	1
Non HAtoms	31
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	6
Symmetricatoms	4
Aromatic Nitrogens	3
BasicNitrogens	3
StereoCon

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