(E)-1-[2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]-2,3-diphenylprop-2-en-1-one

Formula:C28H25NO3 Mutagenic:none Tumorigenic:low Reproductive Effective:high (E)-1-[2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]-2,3-diphenylprop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-[2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]-2,3-diphenylprop-2-en-1-one
MolecularFormula	C28H25NO3
Smiles	C#Cc1cccc(OCC(C2)OCCN2C(/C(/c2ccccc2)=C/c2ccccc2)=O)c1
InChI	InChI=1S/C28H25NO3/c1-2-22-12-9-15-25(18-22)32-21-26-20-29(16-17-31-26)28(30)27(24-13-7-4-8-14-24)19-23-10-5-3-6-11-23/h1,3-15,18-19,26H,16-17,20-21H2/t26-/m1/s1
InChIK	ZOMYCPFRDHWUDA-AREMUKBSSA-N
TotalMolweight	423.511
Molweight	423.511
MonoisotopicMass	423.183444
CLogP	4.4445
CLogS	-3.414
H Acceptors	4
TotalSurfaceArea	343.39
Relative PSA	0.10656
PolarSurfaceArea	38.77
Druglikeness	5.1689
Mutagenic	none
Tumorigenic	low
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.53125
Fragments	1
Non HAtoms	32
NonCHAtoms	4
Electronegative Atoms	4
StereoCenters	1
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	7
Symmetricatoms	4
Amides	1
StereoCon	racemate

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