(2S)-1-(4-chloro-3,5-dimethylphenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol

Formula:C17H26NO2Cl Mutagenic:none Tumorigenic:none Reproductive Effective:high (2S)-1-(4-chloro-3,5-dimethylphenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol is a drug-like molecule.

MolName	(2S)-1-(4-chloro-3,5-dimethylphenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol
MolecularFormula	C17H26NO2Cl
Smiles	CC1CCN(C[C@@H](COc(cc2C)cc(C)c2Cl)O)CC1
InChI	InChI=1S/C17H26ClNO2/c1-12-4-6-19(7-5-12)10-15(20)11-21-16-8-13(2)17(18)14(3)9-16/h8-9,12,15,20H,4-7,10-11H2,1-3H3/t15-/m0/s1
InChIK	ABIYQBDUTHMHKA-HNNXBMFYSA-N
TotalMolweight	311.851
Molweight	311.851
MonoisotopicMass	311.165206
CLogP	3.4181
CLogS	-3.468
H Acceptors	3
H Donors	1
TotalSurfaceArea	246.17
Relative PSA	0.10826
PolarSurfaceArea	32.7
Druglikeness	5.6841
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.66667
Fragments	1
Non HAtoms	21
NonCHAtoms	4
Electronegative Atoms	4
StereoCenters	1
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	14
Symmetricatoms	5
Amines	1
AlkylAmines	1
BasicNitrogens	1
StereoCon	this enantiomer

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