(5Z)-1-[4-(2-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-(2-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-(2-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(C3C4CC(C5)CC3CC5C4)cc2)=O)=C/c2ccc(N3CCOCC3)o2)NC1=O
InChI	InChI=1S/C29H31N3O5/c33-27-24(16-23-5-6-25(37-23)31-7-9-36-10-8-31)28(34)32(29(35)30-27)22-3-1-19(2-4-22)26-20-12-17-11-18(14-20)15-21(26)13-17/h1-6,16-18,20-21,26H,7-15H2,(H,30,33,35)
InChIK	CWZHAHRYKZSUOS-UHFFFAOYSA-N
TotalMolweight	501.581
Molweight	501.581
MonoisotopicMass	501.226372
CLogP	3.9921
CLogS	-6.776
H Acceptors	8
H Donors	1
TotalSurfaceArea	361.57
Relative PSA	0.22621
PolarSurfaceArea	92.09
Druglikeness	6.1937
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.54054
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	9
Amides	2
StereoCon

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

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