2-[1-[(Z)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]naphthalen-2-yl]oxy-N-(4-fluorophenyl)acetamide

Formula:C28H20N3O4F Mutagenic:high Tumorigenic:high Reproductive Effective:none 2-[1-[(Z)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]naphthalen-2-yl]oxy-N-(4-fluorophenyl)acetamide is a drug-like molecule.

MolName	2-[1-[(Z)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]naphthalen-2-yl]oxy-N-(4-fluorophenyl)acetamide
MolecularFormula	C28H20N3O4F
Smiles	O=C(COc1c(/C=C(/C(NN2c3ccccc3)=O)\C2=O)c2ccccc2cc1)Nc(cc1)ccc1F
InChI	InChI=1S/C28H20FN3O4/c29-19-11-13-20(14-12-19)30-26(33)17-36-25-15-10-18-6-4-5-9-22(18)23(25)16-24-27(34)31-32(28(24)35)21-7-2-1-3-8-21/h1-16H,17H2,(H,30,33)(H,31,34)
InChIK	OCECOHSNJNVEKN-UHFFFAOYSA-N
TotalMolweight	481.482
Molweight	481.482
MonoisotopicMass	481.143785
CLogP	3.3612
CLogS	-6.102
H Acceptors	7
H Donors	2
TotalSurfaceArea	355.17
Relative PSA	0.21283
PolarSurfaceArea	87.74
Druglikeness	3.1418
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.52778
Fragments	1
Non HAtoms	36
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	2
Symmetricatoms	4
Amides	1
StereoCon

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