4-morpholin-4-yl-N-[(Z)-[(E)-3-(3-nitrophenyl)prop-2-enylidene]amino]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine

Formula:C20H24N8O3 Mutagenic:high Tumorigenic:high Reproductive Effective:high 4-morpholin-4-yl-N-[(Z)-[(E)-3-(3-nitrophenyl)prop-2-enylidene]amino]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is not a drug-like molecule.

MolName	4-morpholin-4-yl-N-[(Z)-[(E)-3-(3-nitrophenyl)prop-2-enylidene]amino]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
MolecularFormula	C20H24N8O3
Smiles	[O-][N+](c1cc(/C=C/C=N\Nc2nc(N3CCOCC3)nc(N3CCCC3)n2)ccc1)=O
InChI	InChI=1S/C20H24N8O3/c29-28(30)17-7-3-5-16(15-17)6-4-8-21-25-18-22-19(26-9-1-2-10-26)24-20(23-18)27-11-13-31-14-12-27/h3-8,15H,1-2,9-14H2,(H,22,23,24,25)
InChIK	UWPAZWJXUVZQIY-UHFFFAOYSA-N
TotalMolweight	424.464
Molweight	424.464
MonoisotopicMass	424.197137
CLogP	3.008
CLogS	-4.912
H Acceptors	11
H Donors	1
TotalSurfaceArea	329.37
Relative PSA	0.31393
PolarSurfaceArea	124.59
Druglikeness	-2.0201
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.54839
Fragments	1
Non HAtoms	31
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	10
Symmetricatoms	4
Aromatic Nitrogens	3
BasicNitrogens	3
AcidicOxygens	1
StereoCon

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1 - 4-morpholin-4-yl-N-[(Z)-[(E)-3-(3-nitrophenyl)prop-2-enylidene]amino]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine | 2 - 4-morpholin-4-yl-N-[(Z)-[(E)-3-(3-nitrophenyl)prop-2-enylidene]amino]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine

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