2-N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine

Formula:C20H21N7O2 Mutagenic:high Tumorigenic:none Reproductive Effective:none 2-N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine is a drug-like molecule.

MolName	2-N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine
MolecularFormula	C20H21N7O2
Smiles	C(COCC1)N1c1nc(N/N=C\C=C\c2ccco2)nc(Nc2ccccc2)n1
InChI	InChI=1S/C20H21N7O2/c1-2-6-16(7-3-1)22-18-23-19(25-20(24-18)27-11-14-28-15-12-27)26-21-10-4-8-17-9-5-13-29-17/h1-10,13H,11-12,14-15H2,(H2,22,23,24,25,26)
InChIK	ZJWIWKFXVUPVGK-UHFFFAOYSA-N
TotalMolweight	391.434
Molweight	391.434
MonoisotopicMass	391.175673
CLogP	4.6689
CLogS	-4.99
H Acceptors	9
H Donors	2
TotalSurfaceArea	314.77
Relative PSA	0.30181
PolarSurfaceArea	100.7
Druglikeness	3.263
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.55172
Fragments	1
Non HAtoms	29
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	5
Symmetricatoms	4
Aromatic Nitrogens	3
BasicNitrogens	3
StereoCon

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1 - 2-N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine | 2 - 2-N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine

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