(E)-1,1,1-trifluoro-4-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]but-3-en-2-one

Formula:C16H18N2OF4 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1,1,1-trifluoro-4-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]but-3-en-2-one is a drug-like molecule.

MolName	(E)-1,1,1-trifluoro-4-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]but-3-en-2-one
MolecularFormula	C16H18N2OF4
Smiles	O=C(C(F)(F)F)/C=C/N1CCN(Cc(cc2)ccc2F)CCC1
InChI	InChI=1S/C16H18F4N2O/c17-14-4-2-13(3-5-14)12-22-8-1-7-21(10-11-22)9-6-15(23)16(18,19)20/h2-6,9H,1,7-8,10-12H2
InChIK	FBWVZRNPIPLHGI-UHFFFAOYSA-N
TotalMolweight	330.324
Molweight	330.324
MonoisotopicMass	330.135525
CLogP	2.3037
CLogS	-2.739
H Acceptors	3
TotalSurfaceArea	242.98
Relative PSA	0.082887
PolarSurfaceArea	23.55
Druglikeness	-29.493
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.65217
Fragments	1
Non HAtoms	23
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	8
Symmetricatoms	4
Amines	1
AlkylAmines	1
BasicNitrogens	1
StereoCon

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