4-[[4-[(E)-3-(1H-indol-3-yl)prop-2-enoyl]morpholin-2-yl]methoxy]-2,3-dihydroinden-1-one

Formula:C25H24N2O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[[4-[(E)-3-(1H-indol-3-yl)prop-2-enoyl]morpholin-2-yl]methoxy]-2,3-dihydroinden-1-one is a drug-like molecule.

MolName	4-[[4-[(E)-3-(1H-indol-3-yl)prop-2-enoyl]morpholin-2-yl]methoxy]-2,3-dihydroinden-1-one
MolecularFormula	C25H24N2O4
Smiles	O=C(/C=C/c1c[nH]c2c1cccc2)N1CC(COc2cccc3c2CCC3=O)OCC1
InChI	InChI=1S/C25H24N2O4/c28-23-10-9-21-20(23)5-3-7-24(21)31-16-18-15-27(12-13-30-18)25(29)11-8-17-14-26-22-6-2-1-4-19(17)22/h1-8,11,14,18,26H,9-10,12-13,15-16H2/t18-/m1/s1
InChIK	HJTAJTBKBMBKGS-GOSISDBHSA-N
TotalMolweight	416.476
Molweight	416.476
MonoisotopicMass	416.173608
CLogP	3.3099
CLogS	-4.552
H Acceptors	6
H Donors	1
TotalSurfaceArea	317.55
Relative PSA	0.20035
PolarSurfaceArea	71.63
Druglikeness	2.4509
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.58065
Fragments	1
Non HAtoms	31
NonCHAtoms	6
Electronegative Atoms	6
StereoCenters	1
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	9
Amides	1
Aromatic Nitrogens	1
StereoCon	racemate

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