dimethyl 4-(3-ethoxy-4-hydroxyphenyl)-1-[(4-fluorophenyl)methyl]-4H-pyridine-3,5-dicarboxylate

Formula:C24H24NO6F Mutagenic:none Tumorigenic:none Reproductive Effective:none dimethyl 4-(3-ethoxy-4-hydroxyphenyl)-1-[(4-fluorophenyl)methyl]-4H-pyridine-3,5-dicarboxylate is a drug-like molecule.

MolName	dimethyl 4-(3-ethoxy-4-hydroxyphenyl)-1-[(4-fluorophenyl)methyl]-4H-pyridine-3,5-dicarboxylate
MolecularFormula	C24H24NO6F
Smiles	CCOc(cc(C1C(C(OC)=O)=CN(Cc(cc2)ccc2F)C=C1C(OC)=O)cc1)c1O
InChI	InChI=1S/C24H24FNO6/c1-4-32-21-11-16(7-10-20(21)27)22-18(23(28)30-2)13-26(14-19(22)24(29)31-3)12-15-5-8-17(25)9-6-15/h5-11,13-14,22,27H,4,12H2,1-3H3
InChIK	FVNKCHQWEQJFKI-UHFFFAOYSA-N
TotalMolweight	441.454
Molweight	441.454
MonoisotopicMass	441.158767
CLogP	2.8999
CLogS	-3.557
H Acceptors	7
H Donors	1
TotalSurfaceArea	334.24
Relative PSA	0.2176
PolarSurfaceArea	85.3
Druglikeness	-2.5247
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	32
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	9
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	10
Symmetricatoms	8
StereoCon

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