(2S)-1-naphthalen-2-yloxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol

Formula:C22H25N3O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (2S)-1-naphthalen-2-yloxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol is a drug-like molecule.

MolName	(2S)-1-naphthalen-2-yloxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
MolecularFormula	C22H25N3O2
Smiles	O[C@@H](CN(CC1)CCN1c1ncccc1)COc1cc2ccccc2cc1
InChI	InChI=1S/C22H25N3O2/c26-20(17-27-21-9-8-18-5-1-2-6-19(18)15-21)16-24-11-13-25(14-12-24)22-7-3-4-10-23-22/h1-10,15,20,26H,11-14,16-17H2/t20-/m0/s1
InChIK	RMABZBBSUYITHR-FQEVSTJZSA-N
TotalMolweight	363.46
Molweight	363.46
MonoisotopicMass	363.194677
CLogP	2.8405
CLogS	-3.678
H Acceptors	5
H Donors	1
TotalSurfaceArea	284.89
Relative PSA	0.14451
PolarSurfaceArea	48.83
Druglikeness	6.7938
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.66667
Fragments	1
Non HAtoms	27
NonCHAtoms	5
Electronegative Atoms	5
StereoCenters	1
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	10
Symmetricatoms	2
Amines	1
AlkylAmines	1
Aromatic Nitrogens	1
BasicNitrogens	2
StereoCon	this enantiomer

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