(4Z)-4-[[3-[4-[(2-fluorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-2,5-diphenylpyrazol-3-one

Formula:C38H27N4O2F Mutagenic:none Tumorigenic:none Reproductive Effective:none (4Z)-4-[[3-[4-[(2-fluorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-2,5-diphenylpyrazol-3-one is not a drug-like molecule.

MolName	(4Z)-4-[[3-[4-[(2-fluorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-2,5-diphenylpyrazol-3-one
MolecularFormula	C38H27N4O2F
Smiles	O=C(/C1=C\c2cn(-c3ccccc3)nc2-c(cc2)ccc2OCc(cccc2)c2F)N(c2ccccc2)N=C1c1ccccc1
InChI	InChI=1S/C38H27FN4O2/c39-35-19-11-10-14-29(35)26-45-33-22-20-28(21-23-33)36-30(25-42(40-36)31-15-6-2-7-16-31)24-34-37(27-12-4-1-5-13-27)41-43(38(34)44)32-17-8-3-9-18-32/h1-25H,26H2
InChIK	QQGBQKWSUKQQKS-UHFFFAOYSA-N
TotalMolweight	590.656
Molweight	590.656
MonoisotopicMass	590.211804
CLogP	7.1547
CLogS	-7.999
H Acceptors	6
TotalSurfaceArea	452.36
Relative PSA	0.12366
PolarSurfaceArea	59.72
Druglikeness	2.6307
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.44444
Fragments	1
Non HAtoms	45
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	8
Rings Closures	7
Small Rings	7
Aromatic Rings	6
Aromatic Atoms	35
Sp3Atoms	2
Symmetricatoms	8
Aromatic Nitrogens	2
StereoCon

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