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[(9E)-15-hydroxy-5-methylidene-6-oxo-7,14,16-trioxatetracyclo[8.4.3.01,13.04,8]heptadec-9-en-3-yl] 2-(hydroxymethyl)prop-2-enoate

Formula:C19H22O8 Mutagenic:none Tumorigenic:low Reproductive Effective:none [(9E)-15-hydroxy-5-methylidene-6-oxo-7,14,16-trioxatetracyclo[8.4.3.01,13.04,8]heptadec-9-en-3-yl] 2-(hydroxymethyl)prop-2-enoate is a drug-like molecule.
MolName[(9E)-15-hydroxy-5-methylidene-6-oxo-7,14,16-trioxatetracyclo[8.4.3.01,13.04,8]heptadec-9-en-3-yl] 2-(hydroxymethyl)prop-2-enoate
MolecularFormulaC19H22O8
SmilesC=C(CO)C(OC(CC1(C(O)OC2)OC1CC/C2=C/C1OC2=O)C1C2=C)=O
InChIInChI=1S/C19H22O8/c1-9(7-20)16(21)26-13-6-19-14(27-19)4-3-11(8-24-18(19)23)5-12-15(13)10(2)17(22)25-12/h5,12-15,18,20,23H,1-4,6-8H2
InChIKVPZCNCFYAPSUAL-UHFFFAOYSA-N
TotalMolweight378.376
Molweight378.376
MonoisotopicMass378.13147
CLogP0.3865
CLogS-2.086
H Acceptors8
H Donors2
TotalSurfaceArea267.27
Relative PSA0.37389
PolarSurfaceArea114.82
Druglikeness-7.4618
Mutagenicnone
Tumorigeniclow
Reproductive Effectivenone
Irritanthigh
Nasty Functionsoxiran/aziridine
Shape Index0.40741
Fragments1
Non HAtoms27
NonCHAtoms8
Electronegative Atoms8
StereoCenters6
Rotatable Bond4
Rings Closures4
Small Rings2
Sp3Atoms17
StereoConunknown chirality

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