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

Formula:C33H21N3O3F2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]prop-2-enamide is not a drug-like molecule.

MolName	(E)-N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]prop-2-enamide
MolecularFormula	C33H21N3O3F2
Smiles	O=C(/C=C/c1cn(-c2ccccc2)nc1-c(cc1)ccc1F)Nc1c(C(c(cc2)ccc2F)=O)oc2c1cccc2
InChI	InChI=1S/C33H21F2N3O3/c34-24-15-10-21(11-16-24)30-23(20-38(37-30)26-6-2-1-3-7-26)14-19-29(39)36-31-27-8-4-5-9-28(27)41-33(31)32(40)22-12-17-25(35)18-13-22/h1-20H,(H,36,39)
InChIK	BHZRDLYSUYSPCB-UHFFFAOYSA-N
TotalMolweight	545.544
Molweight	545.544
MonoisotopicMass	545.155098
CLogP	5.8925
CLogS	-8.922
H Acceptors	6
H Donors	1
TotalSurfaceArea	410.71
Relative PSA	0.16919
PolarSurfaceArea	77.13
Druglikeness	1.9424
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.46341
Fragments	1
Non HAtoms	41
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	6
Small Rings	6
Aromatic Rings	6
Aromatic Atoms	32
Symmetricatoms	6
Amides	1
Aromatic Nitrogens	2
StereoCon

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