(E)-N-(1-adamantyl)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]prop-2-enamide

Formula:C28H28N3OF Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-N-(1-adamantyl)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]prop-2-enamide is a drug-like molecule.

MolName	(E)-N-(1-adamantyl)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]prop-2-enamide
MolecularFormula	C28H28N3OF
Smiles	O=C(/C=C/c1cn(-c2ccccc2)nc1-c(cc1)ccc1F)NC1(CC(C2)C3)CC3CC2C1
InChI	InChI=1S/C28H28FN3O/c29-24-9-6-22(7-10-24)27-23(18-32(31-27)25-4-2-1-3-5-25)8-11-26(33)30-28-15-19-12-20(16-28)14-21(13-19)17-28/h1-11,18-21H,12-17H2,(H,30,33)
InChIK	ANAAAYVMBOCVFD-UHFFFAOYSA-N
TotalMolweight	441.548
Molweight	441.548
MonoisotopicMass	441.22164
CLogP	4.5226
CLogS	-6.153
H Acceptors	4
H Donors	1
TotalSurfaceArea	332.77
Relative PSA	0.12724
PolarSurfaceArea	46.92
Druglikeness	1.86
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.45455
Fragments	1
Non HAtoms	33
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	5
Rings Closures	6
Small Rings	7
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	10
Symmetricatoms	10
Amides	1
Aromatic Nitrogens	2
StereoCon

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