(5Z)-1-[4-(1-adamantyl)phenyl]-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-1,3-diazinane-2,4,6-trione

Formula:C29H31N3O5 Mutagenic:high Tumorigenic:high Reproductive Effective:high (5Z)-1-[4-(1-adamantyl)phenyl]-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-1,3-diazinane-2,4,6-trione is not a drug-like molecule.

MolName	(5Z)-1-[4-(1-adamantyl)phenyl]-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-1,3-diazinane-2,4,6-trione
MolecularFormula	C29H31N3O5
Smiles	O=C(/C(/C(N1c2ccc(C3(CC(C4)C5)CC5CC4C3)cc2)=O)=C/c2ccc(N3CCOCC3)o2)NC1=O
InChI	InChI=1S/C29H31N3O5/c33-26-24(14-23-5-6-25(37-23)31-7-9-36-10-8-31)27(34)32(28(35)30-26)22-3-1-21(2-4-22)29-15-18-11-19(16-29)13-20(12-18)17-29/h1-6,14,18-20H,7-13,15-17H2,(H,30,33,35)
InChIK	YXJWOBSKUYZHLV-UHFFFAOYSA-N
TotalMolweight	501.581
Molweight	501.581
MonoisotopicMass	501.226372
CLogP	3.4948
CLogS	-6.905
H Acceptors	8
H Donors	1
TotalSurfaceArea	360.74
Relative PSA	0.22673
PolarSurfaceArea	92.09
Druglikeness	6.0055
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.51351
Fragments	1
Non HAtoms	37
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	7
Small Rings	8
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	15
Symmetricatoms	10
Amides	2
StereoCon

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1 - (5Z)-1-[4-(1-adamantyl)phenyl]-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-1,3-diazinane-2,4,6-trione | 2 - (5Z)-1-[4-(1-adamantyl)phenyl]-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-1,3-diazinane-2,4,6-trione

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