4-(6-bromo-2-oxochromen-3-yl)-7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]chromen-2-one

Formula:C25H23N2O6Br Mutagenic:high Tumorigenic:none Reproductive Effective:high 4-(6-bromo-2-oxochromen-3-yl)-7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]chromen-2-one is not a drug-like molecule.

MolName	4-(6-bromo-2-oxochromen-3-yl)-7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]chromen-2-one
MolecularFormula	C25H23N2O6Br
Smiles	OCCN1CCN(Cc(c(O2)c(cc3)C(C4=Cc(cc(cc5)Br)c5OC4=O)=CC2=O)c3O)CC1
InChI	InChI=1S/C25H23BrN2O6/c26-16-1-4-22-15(11-16)12-19(25(32)33-22)18-13-23(31)34-24-17(18)2-3-21(30)20(24)14-28-7-5-27(6-8-28)9-10-29/h1-4,11-13,29-30H,5-10,14H2
InChIK	VURIFMSHLHWWGD-UHFFFAOYSA-N
TotalMolweight	527.37
Molweight	527.37
MonoisotopicMass	526.073949
CLogP	2.0964
CLogS	-3.023
H Acceptors	8
H Donors	2
TotalSurfaceArea	345.69
Relative PSA	0.22963
PolarSurfaceArea	99.54
Druglikeness	3.1729
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	high
Nasty Functions
Shape Index	0.52941
Fragments	1
Non HAtoms	34
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	13
Symmetricatoms	2
Amines	2
AlkylAmines	2
BasicNitrogens	2
StereoCon

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