4-[(4-benzhydrylpiperazin-1-yl)methyl]-6,7-dihydroxychromen-2-one

Formula:C27H26N2O4 Mutagenic:none Tumorigenic:none Reproductive Effective:high 4-[(4-benzhydrylpiperazin-1-yl)methyl]-6,7-dihydroxychromen-2-one is a drug-like molecule.

MolName	4-[(4-benzhydrylpiperazin-1-yl)methyl]-6,7-dihydroxychromen-2-one
MolecularFormula	C27H26N2O4
Smiles	Oc(c(O)c1)cc(C(CN(CC2)CCN2C(c2ccccc2)c2ccccc2)=C2)c1OC2=O
InChI	InChI=1S/C27H26N2O4/c30-23-16-22-21(15-26(32)33-25(22)17-24(23)31)18-28-11-13-29(14-12-28)27(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-10,15-17,27,30-31H,11-14,18H2
InChIK	NCAXWRPCCANNSI-UHFFFAOYSA-N
TotalMolweight	442.513
Molweight	442.513
MonoisotopicMass	442.189258
CLogP	3.39
CLogS	-2.782
H Acceptors	6
H Donors	2
TotalSurfaceArea	332.84
Relative PSA	0.16927
PolarSurfaceArea	73.24
Druglikeness	3.735
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.48485
Fragments	1
Non HAtoms	33
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	11
Symmetricatoms	10
Amines	2
AlkylAmines	2
BasicNitrogens	2
StereoCon

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