(2S)-1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methoxy]-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol

Formula:C21H27N3O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none (2S)-1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methoxy]-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol is a drug-like molecule.

MolName	(2S)-1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methoxy]-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
MolecularFormula	C21H27N3O4
Smiles	O[C@@H](CN(CC1)CCN1c1ncccc1)COC[C@H]1Oc(cccc2)c2OC1
InChI	InChI=1S/C21H27N3O4/c25-17(13-23-9-11-24(12-10-23)21-7-3-4-8-22-21)14-26-15-18-16-27-19-5-1-2-6-20(19)28-18/h1-8,17-18,25H,9-16H2/t17-,18+/m0/s1
InChIK	BKFQFMXWDFWBCA-ZWKOTPCHSA-N
TotalMolweight	385.462
Molweight	385.462
MonoisotopicMass	385.200157
CLogP	1.5208
CLogS	-2.235
H Acceptors	7
H Donors	1
TotalSurfaceArea	296.81
Relative PSA	0.20609
PolarSurfaceArea	67.29
Druglikeness	5.12
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.67857
Fragments	1
Non HAtoms	28
NonCHAtoms	7
Electronegative Atoms	7
StereoCenters	2
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	15
Symmetricatoms	2
Amines	1
AlkylAmines	1
Aromatic Nitrogens	1
BasicNitrogens	2
StereoCon	this enantiomer

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1 - (2S)-1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methoxy]-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol | 2 - (2S)-1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methoxy]-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol

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