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

Formula:C28H25N2O5Cl Mutagenic:none Tumorigenic:none Reproductive Effective:high (5E)-1-[4-(1-adamantyl)phenyl]-5-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]-1,3-diazinane-2,4,6-trione is not a drug-like molecule.

MolName	(5E)-1-[4-(1-adamantyl)phenyl]-5-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]-1,3-diazinane-2,4,6-trione
MolecularFormula	C28H25N2O5Cl
Smiles	O=C(/C(/C(N1c2ccc(C3(CC(C4)C5)CC5CC4C3)cc2)=O)=C\c(cc2OCOc2c2)c2Cl)NC1=O
InChI	InChI=1S/C28H25ClN2O5/c29-22-10-24-23(35-14-36-24)9-18(22)8-21-25(32)30-27(34)31(26(21)33)20-3-1-19(2-4-20)28-11-15-5-16(12-28)7-17(6-15)13-28/h1-4,8-10,15-17H,5-7,11-14H2,(H,30,32,34)
InChIK	RFLUJRRIPDCZRY-UHFFFAOYSA-N
TotalMolweight	504.969
Molweight	504.969
MonoisotopicMass	504.1452
CLogP	5.0031
CLogS	-8.042
H Acceptors	7
H Donors	1
TotalSurfaceArea	344.89
Relative PSA	0.21494
PolarSurfaceArea	84.94
Druglikeness	4.8418
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.47222
Fragments	1
Non HAtoms	36
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	3
Rings Closures	7
Small Rings	8
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	13
Symmetricatoms	8
Amides	2
StereoCon

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

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