(E)-1-[2-[(5-chloropyridin-3-yl)oxymethyl]morpholin-4-yl]-3-(1H-indol-3-yl)prop-2-en-1-one

Formula:C21H20N3O3Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-[2-[(5-chloropyridin-3-yl)oxymethyl]morpholin-4-yl]-3-(1H-indol-3-yl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-[2-[(5-chloropyridin-3-yl)oxymethyl]morpholin-4-yl]-3-(1H-indol-3-yl)prop-2-en-1-one
MolecularFormula	C21H20N3O3Cl
Smiles	O=C(/C=C/c1c[nH]c2c1cccc2)N1CC(COc2cc(Cl)cnc2)OCC1
InChI	InChI=1S/C21H20ClN3O3/c22-16-9-17(12-23-11-16)28-14-18-13-25(7-8-27-18)21(26)6-5-15-10-24-20-4-2-1-3-19(15)20/h1-6,9-12,18,24H,7-8,13-14H2/t18-/m1/s1
InChIK	FRTSWUBGXGQWTJ-GOSISDBHSA-N
TotalMolweight	397.861
Molweight	397.861
MonoisotopicMass	397.119319
CLogP	2.651
CLogS	-3.49
H Acceptors	6
H Donors	1
TotalSurfaceArea	299.96
Relative PSA	0.20519
PolarSurfaceArea	67.45
Druglikeness	3.305
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.60714
Fragments	1
Non HAtoms	28
NonCHAtoms	7
Electronegative Atoms	7
StereoCenters	1
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	7
Amides	1
Aromatic Nitrogens	2
StereoCon	racemate

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