(E)-2-cyano-3-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-N-(4-fluorophenyl)prop-2-enamide

Formula:C31H21N4OF Mutagenic:high Tumorigenic:low Reproductive Effective:none (E)-2-cyano-3-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-N-(4-fluorophenyl)prop-2-enamide is not a drug-like molecule.

MolName	(E)-2-cyano-3-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-N-(4-fluorophenyl)prop-2-enamide
MolecularFormula	C31H21N4OF
Smiles	N#C/C(/C(Nc(cc1)ccc1F)=O)=C\c(cc1)ccc1-n(c(-c1ccccc1)c1)nc1-c1ccccc1
InChI	InChI=1S/C31H21FN4O/c32-26-13-15-27(16-14-26)34-31(37)25(21-33)19-22-11-17-28(18-12-22)36-30(24-9-5-2-6-10-24)20-29(35-36)23-7-3-1-4-8-23/h1-20H,(H,34,37)
InChIK	UBDPZSAOAMJOOC-UHFFFAOYSA-N
TotalMolweight	484.533
Molweight	484.533
MonoisotopicMass	484.169939
CLogP	5.7583
CLogS	-7.375
H Acceptors	5
H Donors	1
TotalSurfaceArea	382.24
Relative PSA	0.14624
PolarSurfaceArea	70.71
Druglikeness	-0.90686
Mutagenic	high
Tumorigenic	low
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.54054
Fragments	1
Non HAtoms	37
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	29
Symmetricatoms	8
Amides	1
Aromatic Nitrogens	2
StereoCon

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