benzyl 3-[1-[2-(7-hydroxy-2-oxochromen-4-yl)acetyl]piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate

Formula:C27H26N2O8 Mutagenic:none Tumorigenic:none Reproductive Effective:high benzyl 3-[1-[2-(7-hydroxy-2-oxochromen-4-yl)acetyl]piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate is not a drug-like molecule.

MolName	benzyl 3-[1-[2-(7-hydroxy-2-oxochromen-4-yl)acetyl]piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate
MolecularFormula	C27H26N2O8
Smiles	Oc(cc1)cc(O2)c1C(CC(N(CC1)CCC1N(C(CO1)C(OCc3ccccc3)=O)C1=O)=O)=CC2=O
InChI	InChI=1S/C27H26N2O8/c30-20-6-7-21-18(13-25(32)37-23(21)14-20)12-24(31)28-10-8-19(9-11-28)29-22(16-36-27(29)34)26(33)35-15-17-4-2-1-3-5-17/h1-7,13-14,19,22,30H,8-12,15-16H2/t22-/m0/s1
InChIK	UFJICKMUIHWAJZ-QFIPXVFZSA-N
TotalMolweight	506.509
Molweight	506.509
MonoisotopicMass	506.168918
CLogP	2.0062
CLogS	-3.412
H Acceptors	10
H Donors	1
TotalSurfaceArea	366.5
Relative PSA	0.27929
PolarSurfaceArea	122.68
Druglikeness	-1.1953
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.56757
Fragments	1
Non HAtoms	37
NonCHAtoms	10
Electronegative Atoms	10
StereoCenters	1
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	13
Symmetricatoms	4
Amides	2
StereoCon	racemate

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1 - benzyl 3-[1-[2-(7-hydroxy-2-oxochromen-4-yl)acetyl]piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate | 2 - benzyl 3-[1-[2-(7-hydroxy-2-oxochromen-4-yl)acetyl]piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate

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