[5-[[benzyl-[(4-fluorophenyl)methyl]amino]methyl]furan-2-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone

Formula:C33H34N3O2F Mutagenic:none Tumorigenic:none Reproductive Effective:none [5-[[benzyl-[(4-fluorophenyl)methyl]amino]methyl]furan-2-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone is not a drug-like molecule.

MolName	[5-[[benzyl-[(4-fluorophenyl)methyl]amino]methyl]furan-2-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
MolecularFormula	C33H34N3O2F
Smiles	O=C(c1ccc(CN(Cc2ccccc2)Cc(cc2)ccc2F)o1)N1CCN(C/C=C/c2ccccc2)CC1
InChI	InChI=1S/C33H34FN3O2/c34-30-15-13-29(14-16-30)25-36(24-28-10-5-2-6-11-28)26-31-17-18-32(39-31)33(38)37-22-20-35(21-23-37)19-7-12-27-8-3-1-4-9-27/h1-18H,19-26H2
InChIK	QLEOFWXHFUGCDK-UHFFFAOYSA-N
TotalMolweight	523.65
Molweight	523.65
MonoisotopicMass	523.263505
CLogP	5.4252
CLogS	-4.848
H Acceptors	5
TotalSurfaceArea	420.31
Relative PSA	0.089934
PolarSurfaceArea	39.93
Druglikeness	7.566
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.58974
Fragments	1
Non HAtoms	39
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	10
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	10
Symmetricatoms	8
Amides	1
Amines	2
AlkylAmines	2
BasicNitrogens	2
StereoCon

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