3-[[4-[(E)-(4,6-dioxo-1-phenyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenoxy]methyl]benzoate

Formula:C25H17N2O5S Mutagenic:high Tumorigenic:none Reproductive Effective:high 3-[[4-[(E)-(4,6-dioxo-1-phenyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenoxy]methyl]benzoate is a drug-like molecule.

MolName	3-[[4-[(E)-(4,6-dioxo-1-phenyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenoxy]methyl]benzoate
MolecularFormula	C25H17N2O5S
Smiles	[O-]C(c1cccc(COc2ccc(/C=C(\C(NC(N3c4ccccc4)=S)=O)/C3=O)cc2)c1)=O
InChI	InChI=1S/C25H18N2O5S/c28-22-21(23(29)27(25(33)26-22)19-7-2-1-3-8-19)14-16-9-11-20(12-10-16)32-15-17-5-4-6-18(13-17)24(30)31/h1-14H,15H2,(H,30,31)(H,26,28,33)/p-1
InChIK	HJEZKAMTVRSKSQ-UHFFFAOYSA-M
TotalMolweight	457.485
Molweight	457.485
MonoisotopicMass	457.085818
CLogP	1.2731
CLogS	-5.325
H Acceptors	7
H Donors	1
TotalSurfaceArea	343
Relative PSA	0.31023
PolarSurfaceArea	130.86
Druglikeness	3.582
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB; thio-amide/urea
Shape Index	0.57576
Fragments	1
Non HAtoms	33
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	4
Symmetricatoms	4
Amides	2
AcidicOxygens	1
StereoCon

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