(E)-N-benzyl-2-cyano-3-[3-[4-[(2-fluorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]prop-2-enamide

Formula:C33H25N4O2F Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-N-benzyl-2-cyano-3-[3-[4-[(2-fluorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]prop-2-enamide is not a drug-like molecule.

MolName	(E)-N-benzyl-2-cyano-3-[3-[4-[(2-fluorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]prop-2-enamide
MolecularFormula	C33H25N4O2F
Smiles	N#C/C(/C(NCc1ccccc1)=O)=C\c1cn(-c2ccccc2)nc1-c(cc1)ccc1OCc(cccc1)c1F
InChI	InChI=1S/C33H25FN4O2/c34-31-14-8-7-11-26(31)23-40-30-17-15-25(16-18-30)32-28(22-38(37-32)29-12-5-2-6-13-29)19-27(20-35)33(39)36-21-24-9-3-1-4-10-24/h1-19,22H,21,23H2,(H,36,39)
InChIK	MYCZGIDFPVXHBU-UHFFFAOYSA-N
TotalMolweight	528.586
Molweight	528.586
MonoisotopicMass	528.196154
CLogP	5.0656
CLogS	-6.754
H Acceptors	6
H Donors	1
TotalSurfaceArea	419.76
Relative PSA	0.15699
PolarSurfaceArea	79.94
Druglikeness	-0.72173
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.525
Fragments	1
Non HAtoms	40
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	9
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	29
Sp3Atoms	3
Symmetricatoms	6
Amides	1
Aromatic Nitrogens	2
StereoCon

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