2-[3-[(Z)-(4,6-dioxo-1-phenyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenoxy]-N-(4-fluorophenyl)acetamide

Formula:C25H18N3O4FS Mutagenic:high Tumorigenic:none Reproductive Effective:high 2-[3-[(Z)-(4,6-dioxo-1-phenyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenoxy]-N-(4-fluorophenyl)acetamide is a drug-like molecule.

MolName	2-[3-[(Z)-(4,6-dioxo-1-phenyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenoxy]-N-(4-fluorophenyl)acetamide
MolecularFormula	C25H18N3O4FS
Smiles	O=C(COc1cccc(/C=C(/C(NC(N2c3ccccc3)=S)=O)\C2=O)c1)Nc(cc1)ccc1F
InChI	InChI=1S/C25H18FN3O4S/c26-17-9-11-18(12-10-17)27-22(30)15-33-20-8-4-5-16(13-20)14-21-23(31)28-25(34)29(24(21)32)19-6-2-1-3-7-19/h1-14H,15H2,(H,27,30)(H,28,31,34)
InChIK	USGKDXDAXCRSDN-UHFFFAOYSA-N
TotalMolweight	475.499
Molweight	475.499
MonoisotopicMass	475.100205
CLogP	3.3391
CLogS	-5.577
H Acceptors	7
H Donors	2
TotalSurfaceArea	353.28
Relative PSA	0.29322
PolarSurfaceArea	119.83
Druglikeness	2.2734
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB; thio-amide/urea
Shape Index	0.58824
Fragments	1
Non HAtoms	34
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	3
Symmetricatoms	4
Amides	3
StereoCon

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1 - 2-[3-[(Z)-(4,6-dioxo-1-phenyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenoxy]-N-(4-fluorophenyl)acetamide | 2 - 2-[3-[(Z)-(4,6-dioxo-1-phenyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenoxy]-N-(4-fluorophenyl)acetamide

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