[4-[(Z)-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate

Formula:C29H29N7O4 Mutagenic:high Tumorigenic:high Reproductive Effective:high [4-[(Z)-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate is not a drug-like molecule.

MolName	[4-[(Z)-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate
MolecularFormula	C29H29N7O4
Smiles	O=C(c1cccc2ccccc12)Oc1ccc(/C=N\Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1
InChI	InChI=1S/C29H29N7O4/c37-26(25-7-3-5-22-4-1-2-6-24(22)25)40-23-10-8-21(9-11-23)20-30-34-27-31-28(35-12-16-38-17-13-35)33-29(32-27)36-14-18-39-19-15-36/h1-11,20H,12-19H2,(H,31,32,33,34)
InChIK	AIKAQAKZFFIWDB-UHFFFAOYSA-N
TotalMolweight	539.594
Molweight	539.594
MonoisotopicMass	539.228103
CLogP	6.2254
CLogS	-6.617
H Acceptors	11
H Donors	1
TotalSurfaceArea	411.31
Relative PSA	0.25776
PolarSurfaceArea	114.3
Druglikeness	3.0321
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.525
Fragments	1
Non HAtoms	40
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	8
Rings Closures	6
Small Rings	6
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	11
Symmetricatoms	12
Aromatic Nitrogens	3
BasicNitrogens	3
StereoCon

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