(5E)-1-(4-phenylmethoxyphenyl)-5-[(4-prop-2-ynoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione

Formula:C27H20N2O5 Mutagenic:none Tumorigenic:none Reproductive Effective:high (5E)-1-(4-phenylmethoxyphenyl)-5-[(4-prop-2-ynoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione is a drug-like molecule.

MolName	(5E)-1-(4-phenylmethoxyphenyl)-5-[(4-prop-2-ynoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
MolecularFormula	C27H20N2O5
Smiles	C#CCOc1ccc(/C=C(\C(NC(N2c(cc3)ccc3OCc3ccccc3)=O)=O)/C2=O)cc1
InChI	InChI=1S/C27H20N2O5/c1-2-16-33-22-12-8-19(9-13-22)17-24-25(30)28-27(32)29(26(24)31)21-10-14-23(15-11-21)34-18-20-6-4-3-5-7-20/h1,3-15,17H,16,18H2,(H,28,30,32)
InChIK	SQAIFQYGQRLNDY-UHFFFAOYSA-N
TotalMolweight	452.465
Molweight	452.465
MonoisotopicMass	452.137223
CLogP	3.4607
CLogS	-5.87
H Acceptors	7
H Donors	1
TotalSurfaceArea	350.33
Relative PSA	0.2116
PolarSurfaceArea	84.94
Druglikeness	4.5666
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.64706
Fragments	1
Non HAtoms	34
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	4
Symmetricatoms	6
Amides	2
StereoCon

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1 - (5E)-1-(4-phenylmethoxyphenyl)-5-[(4-prop-2-ynoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione | 2 - (5E)-1-(4-phenylmethoxyphenyl)-5-[(4-prop-2-ynoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione

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