[1-(1,3-benzodioxol-5-yl)-9H-pyrido[3,4-b]indol-3-yl]-morpholin-4-ylmethanone

Formula:C23H19N3O4 Mutagenic:low Tumorigenic:none Reproductive Effective:none [1-(1,3-benzodioxol-5-yl)-9H-pyrido[3,4-b]indol-3-yl]-morpholin-4-ylmethanone is a drug-like molecule.

MolName	[1-(1,3-benzodioxol-5-yl)-9H-pyrido[3,4-b]indol-3-yl]-morpholin-4-ylmethanone
MolecularFormula	C23H19N3O4
Smiles	O=C(c1nc(-c(cc2)cc3c2OCO3)c2[nH]c(cccc3)c3c2c1)N1CCOCC1
InChI	InChI=1S/C23H19N3O4/c27-23(26-7-9-28-10-8-26)18-12-16-15-3-1-2-4-17(15)24-22(16)21(25-18)14-5-6-19-20(11-14)30-13-29-19/h1-6,11-12,24H,7-10,13H2
InChIK	LNXCZMVTWSBRLS-UHFFFAOYSA-N
TotalMolweight	401.421
Molweight	401.421
MonoisotopicMass	401.137557
CLogP	3.6049
CLogS	-5.07
H Acceptors	7
H Donors	1
TotalSurfaceArea	290.4
Relative PSA	0.24638
PolarSurfaceArea	76.68
Druglikeness	2.878
Mutagenic	low
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.43333
Fragments	1
Non HAtoms	30
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	2
Rings Closures	6
Small Rings	6
Aromatic Rings	4
Aromatic Atoms	19
Sp3Atoms	8
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	2
StereoCon

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