4-[[2-bromo-4-[(E)-[1-(4-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]methyl]benzoic acid

Formula:C25H16N2O6Br2 Mutagenic:none Tumorigenic:none Reproductive Effective:high 4-[[2-bromo-4-[(E)-[1-(4-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]methyl]benzoic acid is not a drug-like molecule.

MolName	4-[[2-bromo-4-[(E)-[1-(4-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]methyl]benzoic acid
MolecularFormula	C25H16N2O6Br2
Smiles	OC(c1ccc(COc(ccc(/C=C(\C(NC(N2c(cc3)ccc3Br)=O)=O)/C2=O)c2)c2Br)cc1)=O
InChI	InChI=1S/C25H16Br2N2O6/c26-17-6-8-18(9-7-17)29-23(31)19(22(30)28-25(29)34)11-15-3-10-21(20(27)12-15)35-13-14-1-4-16(5-2-14)24(32)33/h1-12H,13H2,(H,32,33)(H,28,30,34)
InChIK	RQANIQRQXWNKGH-UHFFFAOYSA-N
TotalMolweight	600.218
Molweight	600.218
MonoisotopicMass	597.93751
CLogP	4.439
CLogS	-6.909
H Acceptors	8
H Donors	2
TotalSurfaceArea	364.12
Relative PSA	0.24791
PolarSurfaceArea	113.01
Druglikeness	2.7038
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.6
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	3
Symmetricatoms	4
Amides	2
AcidicOxygens	1
StereoCon

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1 - 4-[[2-bromo-4-[(E)-[1-(4-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]methyl]benzoic acid | 2 - 4-[[2-bromo-4-[(E)-[1-(4-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]methyl]benzoic acid

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