(E)-1-(4-benzylpiperazin-1-yl)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]prop-2-en-1-one

Formula:C29H27N4OF Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-(4-benzylpiperazin-1-yl)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]prop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-(4-benzylpiperazin-1-yl)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]prop-2-en-1-one
MolecularFormula	C29H27N4OF
Smiles	O=C(/C=C/c1cn(-c2ccccc2)nc1-c(cc1)ccc1F)N1CCN(Cc2ccccc2)CC1
InChI	InChI=1S/C29H27FN4O/c30-26-14-11-24(12-15-26)29-25(22-34(31-29)27-9-5-2-6-10-27)13-16-28(35)33-19-17-32(18-20-33)21-23-7-3-1-4-8-23/h1-16,22H,17-21H2
InChIK	GEBULHDGOPLLFD-UHFFFAOYSA-N
TotalMolweight	466.558
Molweight	466.558
MonoisotopicMass	466.216889
CLogP	4.2104
CLogS	-4.348
H Acceptors	5
TotalSurfaceArea	367
Relative PSA	0.10349
PolarSurfaceArea	41.37
Druglikeness	6.5606
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.54286
Fragments	1
Non HAtoms	35
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	6
Symmetricatoms	8
Amides	1
Amines	1
AlkylAmines	1
Aromatic Nitrogens	2
BasicNitrogens	1
StereoCon

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