3,6-dihydroxy-4,5-bis(piperidin-1-ylmethyl)xanthen-9-one

Formula:C25H30N2O4 Mutagenic:none Tumorigenic:low Reproductive Effective:none 3,6-dihydroxy-4,5-bis(piperidin-1-ylmethyl)xanthen-9-one is a drug-like molecule.

MolName	3,6-dihydroxy-4,5-bis(piperidin-1-ylmethyl)xanthen-9-one
MolecularFormula	C25H30N2O4
Smiles	Oc(cc1)c(CN2CCCCC2)c(Oc2c3ccc(O)c2CN2CCCCC2)c1C3=O
InChI	InChI=1S/C25H30N2O4/c28-21-9-7-17-23(30)18-8-10-22(29)20(16-27-13-5-2-6-14-27)25(18)31-24(17)19(21)15-26-11-3-1-4-12-26/h7-10,28-29H,1-6,11-16H2
InChIK	CLVWSEWBGADLEC-UHFFFAOYSA-N
TotalMolweight	422.523
Molweight	422.523
MonoisotopicMass	422.220558
CLogP	4.187
CLogS	-5.275
H Acceptors	6
H Donors	2
TotalSurfaceArea	318.69
Relative PSA	0.17679
PolarSurfaceArea	73.24
Druglikeness	1.3487
Mutagenic	none
Tumorigenic	low
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.48387
Fragments	1
Non HAtoms	31
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	17
Symmetricatoms	16
Amines	2
AlkylAmines	2
BasicNitrogens	2
StereoCon

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