2-[4-[[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-6-yl]oxy]phenyl]-5,7-dihydroxychromen-4-one

Formula:C30H20O10 Mutagenic:none Tumorigenic:none Reproductive Effective:high 2-[4-[[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-6-yl]oxy]phenyl]-5,7-dihydroxychromen-4-one is not a drug-like molecule.

MolName2-[4-[[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-6-yl]oxy]phenyl]-5,7-dihydroxychromen-4-one
MolecularFormulaC30H20O10
SmilesOc1ccc(C(CC2=O)Oc(cc3O)c2c(O)c3Oc(cc2)ccc2C(Oc2c3c(O)cc(O)c2)=CC3=O)cc1
InChIInChI=1S/C30H20O10/c31-16-5-1-14(2-6-16)24-12-21(35)28-26(40-24)13-22(36)30(29(28)37)38-18-7-3-15(4-8-18)23-11-20(34)27-19(33)9-17(32)10-25(27)39-23/h1-11,13,24,31-33,36-37H,12H2/t24-/m1/s1
InChIKDQAQPJCEVLMLPH-XMMPIXPASA-N
TotalMolweight540.479
Molweight540.479
MonoisotopicMass540.10565
CLogP4.5731
CLogS-6.473
H Acceptors10
H Donors5
TotalSurfaceArea373.76
Relative PSA0.32529
PolarSurfaceArea162.98
Druglikeness0.8125
Mutagenicnone
Tumorigenicnone
Reproductive Effectivehigh
Irritantnone
Nasty Functions
Shape Index0.55
Fragments1
Non HAtoms40
NonCHAtoms10
Electronegative Atoms10
StereoCenters1
Rotatable Bond4
Rings Closures6
Small Rings6
Aromatic Rings4
Aromatic Atoms24
Sp3Atoms10
Symmetricatoms4
StereoConracemate

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