(5E)-1-[4-(1-adamantyl)phenyl]-5-[[1-(2-fluorophenyl)pyrrol-2-yl]methylidene]-1,3-diazinane-2,4,6-trione

Formula:C31H28N3O3F Mutagenic:none Tumorigenic:none Reproductive Effective:high (5E)-1-[4-(1-adamantyl)phenyl]-5-[[1-(2-fluorophenyl)pyrrol-2-yl]methylidene]-1,3-diazinane-2,4,6-trione is not a drug-like molecule.

MolName	(5E)-1-[4-(1-adamantyl)phenyl]-5-[[1-(2-fluorophenyl)pyrrol-2-yl]methylidene]-1,3-diazinane-2,4,6-trione
MolecularFormula	C31H28N3O3F
Smiles	O=C(/C(/C(N1c2ccc(C3(CC(C4)C5)CC5CC4C3)cc2)=O)=C\c2cccn2-c(cccc2)c2F)NC1=O
InChI	InChI=1S/C31H28FN3O3/c32-26-5-1-2-6-27(26)34-11-3-4-24(34)15-25-28(36)33-30(38)35(29(25)37)23-9-7-22(8-10-23)31-16-19-12-20(17-31)14-21(13-19)18-31/h1-11,15,19-21H,12-14,16-18H2,(H,33,36,38)
InChIK	LNOQJFAVBBOQBZ-UHFFFAOYSA-N
TotalMolweight	509.579
Molweight	509.579
MonoisotopicMass	509.21147
CLogP	4.6254
CLogS	-9.246
H Acceptors	6
H Donors	1
TotalSurfaceArea	364.52
Relative PSA	0.16734
PolarSurfaceArea	71.41
Druglikeness	3.7247
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.47368
Fragments	1
Non HAtoms	38
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	7
Small Rings	8
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	10
Symmetricatoms	8
Amides	2
Aromatic Nitrogens	1
StereoCon

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1 - (5E)-1-[4-(1-adamantyl)phenyl]-5-[[1-(2-fluorophenyl)pyrrol-2-yl]methylidene]-1,3-diazinane-2,4,6-trione | 2 - (5E)-1-[4-(1-adamantyl)phenyl]-5-[[1-(2-fluorophenyl)pyrrol-2-yl]methylidene]-1,3-diazinane-2,4,6-trione

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