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

Formula:C27H26N2O5 Mutagenic:none Tumorigenic:none Reproductive Effective:high (5Z)-1-[4-(1-adamantyl)phenyl]-5-[(3,4-dihydroxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione is a drug-like molecule.

MolName	(5Z)-1-[4-(1-adamantyl)phenyl]-5-[(3,4-dihydroxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
MolecularFormula	C27H26N2O5
Smiles	Oc(ccc(/C=C(/C(NC(N1c2ccc(C3(CC(C4)C5)CC5CC4C3)cc2)=O)=O)\C1=O)c1)c1O
InChI	InChI=1S/C27H26N2O5/c30-22-6-1-15(11-23(22)31)10-21-24(32)28-26(34)29(25(21)33)20-4-2-19(3-5-20)27-12-16-7-17(13-27)9-18(8-16)14-27/h1-6,10-11,16-18,30-31H,7-9,12-14H2,(H,28,32,34)
InChIK	KDMZNDVUKZAWNE-UHFFFAOYSA-N
TotalMolweight	458.512
Molweight	458.512
MonoisotopicMass	458.184173
CLogP	3.5943
CLogS	-6.003
H Acceptors	7
H Donors	3
TotalSurfaceArea	321.91
Relative PSA	0.24954
PolarSurfaceArea	106.94
Druglikeness	4.8288
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.5
Fragments	1
Non HAtoms	34
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	6
Small Rings	7
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	12
Symmetricatoms	8
Amides	2
StereoCon

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

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