2-[3-[(E)-[1-(3-chlorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]-N-(4-fluorophenyl)acetamide

Formula:C25H17N3O5ClF Mutagenic:none Tumorigenic:none Reproductive Effective:high 2-[3-[(E)-[1-(3-chlorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]-N-(4-fluorophenyl)acetamide is a drug-like molecule.

MolName	2-[3-[(E)-[1-(3-chlorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]-N-(4-fluorophenyl)acetamide
MolecularFormula	C25H17N3O5ClF
Smiles	O=C(COc1cccc(/C=C(\C(NC(N2c3cccc(Cl)c3)=O)=O)/C2=O)c1)Nc(cc1)ccc1F
InChI	InChI=1S/C25H17ClFN3O5/c26-16-4-2-5-19(13-16)30-24(33)21(23(32)29-25(30)34)12-15-3-1-6-20(11-15)35-14-22(31)28-18-9-7-17(27)8-10-18/h1-13H,14H2,(H,28,31)(H,29,32,34)
InChIK	QSXWHUDVWHGMQT-UHFFFAOYSA-N
TotalMolweight	493.877
Molweight	493.877
MonoisotopicMass	493.084077
CLogP	3.5846
CLogS	-6.229
H Acceptors	8
H Donors	2
TotalSurfaceArea	353.74
Relative PSA	0.25055
PolarSurfaceArea	104.81
Druglikeness	3.4095
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.57143
Fragments	1
Non HAtoms	35
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	2
Symmetricatoms	2
Amides	3
StereoCon

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1 - 2-[3-[(E)-[1-(3-chlorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]-N-(4-fluorophenyl)acetamide | 2 - 2-[3-[(E)-[1-(3-chlorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]-N-(4-fluorophenyl)acetamide

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