1-[(E)-1,2-dihydrocyclopenta[a]naphthalen-3-ylideneamino]oxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol

Formula:C22H29N3O3 Mutagenic:high Tumorigenic:high Reproductive Effective:none 1-[(E)-1,2-dihydrocyclopenta[a]naphthalen-3-ylideneamino]oxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol is a drug-like molecule.

MolName	1-[(E)-1,2-dihydrocyclopenta[a]naphthalen-3-ylideneamino]oxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol
MolecularFormula	C22H29N3O3
Smiles	OCCN1CCN(CC(CO/N=C(\CC2)/c3c2c2ccccc2cc3)O)CC1
InChI	InChI=1S/C22H29N3O3/c26-14-13-24-9-11-25(12-10-24)15-18(27)16-28-23-22-8-7-20-19-4-2-1-3-17(19)5-6-21(20)22/h1-6,18,26-27H,7-16H2/t18-/m0/s1
InChIK	KCSLJVXCHLQDES-SFHVURJKSA-N
TotalMolweight	383.49
Molweight	383.49
MonoisotopicMass	383.220892
CLogP	2.6331
CLogS	-3.26
H Acceptors	6
H Donors	2
TotalSurfaceArea	297.23
Relative PSA	0.1844
PolarSurfaceArea	68.53
Druglikeness	8.002
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.67857
Fragments	1
Non HAtoms	28
NonCHAtoms	6
Electronegative Atoms	6
StereoCenters	1
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	10
Sp3Atoms	16
Symmetricatoms	2
Amines	2
AlkylAmines	2
BasicNitrogens	2
StereoCon	racemate

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1 - 1-[(E)-1,2-dihydrocyclopenta[a]naphthalen-3-ylideneamino]oxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol | 2 - 1-[(E)-1,2-dihydrocyclopenta[a]naphthalen-3-ylideneamino]oxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol

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