(E)-3-pyridin-2-yl-1-[2-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]morpholin-4-yl]prop-2-en-1-one

Formula:C21H21N5O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-pyridin-2-yl-1-[2-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]morpholin-4-yl]prop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-pyridin-2-yl-1-[2-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]morpholin-4-yl]prop-2-en-1-one
MolecularFormula	C21H21N5O3
Smiles	O=C(/C=C/c1ncccc1)N1CC(COc(cc2)ccc2-n2ncnc2)OCC1
InChI	InChI=1S/C21H21N5O3/c27-21(9-4-17-3-1-2-10-23-17)25-11-12-28-20(13-25)14-29-19-7-5-18(6-8-19)26-16-22-15-24-26/h1-10,15-16,20H,11-14H2/t20-/m1/s1
InChIK	UIMJLYVQMVNOKN-HXUWFJFHSA-N
TotalMolweight	391.43
Molweight	391.43
MonoisotopicMass	391.16444
CLogP	1.1047
CLogS	-2.365
H Acceptors	8
TotalSurfaceArea	306.85
Relative PSA	0.24888
PolarSurfaceArea	82.37
Druglikeness	4.7655
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.65517
Fragments	1
Non HAtoms	29
NonCHAtoms	8
Electronegative Atoms	8
StereoCenters	1
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	7
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	4
StereoCon	racemate

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1 - (E)-3-pyridin-2-yl-1-[2-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]morpholin-4-yl]prop-2-en-1-one | 2 - (E)-3-pyridin-2-yl-1-[2-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]morpholin-4-yl]prop-2-en-1-one

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