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

Formula:C25H23N2O4I Mutagenic:high Tumorigenic:high Reproductive Effective:high (5Z)-1-[4-(2-adamantyl)phenyl]-5-[(5-iodofuran-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-iodofuran-2-yl)methylidene]-1,3-diazinane-2,4,6-trione
MolecularFormula	C25H23N2O4I
Smiles	O=C(/C(/C(N1c2ccc(C3C4CC(C5)CC3CC5C4)cc2)=O)=C/c(o2)ccc2I)NC1=O
InChI	InChI=1S/C25H23IN2O4/c26-21-6-5-19(32-21)12-20-23(29)27-25(31)28(24(20)30)18-3-1-15(2-4-18)22-16-8-13-7-14(10-16)11-17(22)9-13/h1-6,12-14,16-17,22H,7-11H2,(H,27,29,31)
InChIK	QXDDLBIJSWUUDR-UHFFFAOYSA-N
TotalMolweight	542.368
Molweight	542.368
MonoisotopicMass	542.070256
CLogP	4.5062
CLogS	-6.927
H Acceptors	6
H Donors	1
TotalSurfaceArea	326.01
Relative PSA	0.20932
PolarSurfaceArea	79.62
Druglikeness	6.2833
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.53125
Fragments	1
Non HAtoms	32
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	6
Small Rings	7
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	10
Symmetricatoms	7
Amides	2
StereoCon

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

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