(2S)-1-(1,3-benzodioxol-5-yloxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol

Formula:C19H23N3O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none (2S)-1-(1,3-benzodioxol-5-yloxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol is a drug-like molecule.

MolName	(2S)-1-(1,3-benzodioxol-5-yloxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
MolecularFormula	C19H23N3O4
Smiles	O[C@@H](CN(CC1)CCN1c1ncccc1)COc(cc1)cc2c1OCO2
InChI	InChI=1S/C19H23N3O4/c23-15(13-24-16-4-5-17-18(11-16)26-14-25-17)12-21-7-9-22(10-8-21)19-3-1-2-6-20-19/h1-6,11,15,23H,7-10,12-14H2/t15-/m0/s1
InChIK	UJUYGFIKWWXXJU-HNNXBMFYSA-N
TotalMolweight	357.409
Molweight	357.409
MonoisotopicMass	357.168857
CLogP	1.7575
CLogS	-2.783
H Acceptors	7
H Donors	1
TotalSurfaceArea	270.55
Relative PSA	0.22609
PolarSurfaceArea	67.29
Druglikeness	6.7188
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.65385
Fragments	1
Non HAtoms	26
NonCHAtoms	7
Electronegative Atoms	7
StereoCenters	1
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	13
Symmetricatoms	2
Amines	1
AlkylAmines	1
Aromatic Nitrogens	1
BasicNitrogens	2
StereoCon	this enantiomer

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