(E)-1-[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-3-(1H-indol-3-yl)prop-2-en-1-one

Formula:C23H22N2O5 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-3-(1H-indol-3-yl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-3-(1H-indol-3-yl)prop-2-en-1-one
MolecularFormula	C23H22N2O5
Smiles	O=C(/C=C/c1c[nH]c2c1cccc2)N1CC(COc(cc2)cc3c2OCO3)OCC1
InChI	InChI=1S/C23H22N2O5/c26-23(8-5-16-12-24-20-4-2-1-3-19(16)20)25-9-10-27-18(13-25)14-28-17-6-7-21-22(11-17)30-15-29-21/h1-8,11-12,18,24H,9-10,13-15H2/t18-/m1/s1
InChIK	RHQFZQIRYPWWJQ-GOSISDBHSA-N
TotalMolweight	406.437
Molweight	406.437
MonoisotopicMass	406.152873
CLogP	3.1573
CLogS	-4.26
H Acceptors	7
H Donors	1
TotalSurfaceArea	306.04
Relative PSA	0.23062
PolarSurfaceArea	73.02
Druglikeness	3.2281
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.6
Fragments	1
Non HAtoms	30
NonCHAtoms	7
Electronegative Atoms	7
StereoCenters	1
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	10
Amides	1
Aromatic Nitrogens	1
StereoCon	racemate

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