2,6-dimorpholin-4-yl-N-[(Z)-[1-(2-phenoxyethyl)indol-3-yl]methylideneamino]pyrimidin-4-amine

Formula:C29H33N7O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2,6-dimorpholin-4-yl-N-[(Z)-[1-(2-phenoxyethyl)indol-3-yl]methylideneamino]pyrimidin-4-amine is not a drug-like molecule.

MolName	2,6-dimorpholin-4-yl-N-[(Z)-[1-(2-phenoxyethyl)indol-3-yl]methylideneamino]pyrimidin-4-amine
MolecularFormula	C29H33N7O3
Smiles	C(COc1ccccc1)n1c(cccc2)c2c(/C=N\Nc2nc(N3CCOCC3)nc(N3CCOCC3)c2)c1
InChI	InChI=1S/C29H33N7O3/c1-2-6-24(7-3-1)39-19-14-36-22-23(25-8-4-5-9-26(25)36)21-30-33-27-20-28(34-10-15-37-16-11-34)32-29(31-27)35-12-17-38-18-13-35/h1-9,20-22H,10-19H2,(H,31,32,33)
InChIK	PXMCWBMQERFEPA-UHFFFAOYSA-N
TotalMolweight	527.627
Molweight	527.627
MonoisotopicMass	527.264488
CLogP	5.1349
CLogS	-4.815
H Acceptors	10
H Donors	1
TotalSurfaceArea	411.52
Relative PSA	0.21598
PolarSurfaceArea	89.27
Druglikeness	3.5457
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.51282
Fragments	1
Non HAtoms	39
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	9
Rings Closures	6
Small Rings	6
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	13
Symmetricatoms	6
Aromatic Nitrogens	3
BasicNitrogens	2
StereoCon

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