(5E)-1-[4-(1-adamantyl)phenyl]-5-[(4-morpholin-4-ylphenyl)methylidene]-1,3-diazinane-2,4,6-trione

Formula:C31H33N3O4 Mutagenic:high Tumorigenic:low Reproductive Effective:high (5E)-1-[4-(1-adamantyl)phenyl]-5-[(4-morpholin-4-ylphenyl)methylidene]-1,3-diazinane-2,4,6-trione is not a drug-like molecule.

MolName	(5E)-1-[4-(1-adamantyl)phenyl]-5-[(4-morpholin-4-ylphenyl)methylidene]-1,3-diazinane-2,4,6-trione
MolecularFormula	C31H33N3O4
Smiles	O=C(/C(/C(N1c2ccc(C3(CC(C4)C5)CC5CC4C3)cc2)=O)=C\c(cc2)ccc2N2CCOCC2)NC1=O
InChI	InChI=1S/C31H33N3O4/c35-28-27(16-20-1-5-25(6-2-20)33-9-11-38-12-10-33)29(36)34(30(37)32-28)26-7-3-24(4-8-26)31-17-21-13-22(18-31)15-23(14-21)19-31/h1-8,16,21-23H,9-15,17-19H2,(H,32,35,37)
InChIK	YIFSBZXVRFEJPD-UHFFFAOYSA-N
TotalMolweight	511.62
Molweight	511.62
MonoisotopicMass	511.247107
CLogP	3.9547
CLogS	-6.698
H Acceptors	7
H Donors	1
TotalSurfaceArea	371.05
Relative PSA	0.1824
PolarSurfaceArea	78.95
Druglikeness	5.0525
Mutagenic	high
Tumorigenic	low
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.52632
Fragments	1
Non HAtoms	38
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	7
Small Rings	8
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	15
Symmetricatoms	12
Amides	2
Amines	1
Aromatic Amines	1
StereoCon

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1 - (5E)-1-[4-(1-adamantyl)phenyl]-5-[(4-morpholin-4-ylphenyl)methylidene]-1,3-diazinane-2,4,6-trione | 2 - (5E)-1-[4-(1-adamantyl)phenyl]-5-[(4-morpholin-4-ylphenyl)methylidene]-1,3-diazinane-2,4,6-trione

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