(1S)-6-methoxy-1-(3-methoxy-4-propoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium

Formula:C22H27N2O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (1S)-6-methoxy-1-(3-methoxy-4-propoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium is a drug-like molecule.

MolName	(1S)-6-methoxy-1-(3-methoxy-4-propoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium
MolecularFormula	C22H27N2O3
Smiles	CCCOc(ccc([C@@H]1[NH2+]CCc2c1[nH]c(cc1)c2cc1OC)c1)c1OC
InChI	InChI=1S/C22H26N2O3/c1-4-11-27-19-8-5-14(12-20(19)26-3)21-22-16(9-10-23-21)17-13-15(25-2)6-7-18(17)24-22/h5-8,12-13,21,23-24H,4,9-11H2,1-3H3/p+1/t21-/m0/s1
InChIK	BSCXKXYPXYVBLR-NRFANRHFSA-O
TotalMolweight	367.467
Molweight	367.467
MonoisotopicMass	367.202168
CLogP	3.7366
CLogS	-4.274
H Acceptors	5
H Donors	2
TotalSurfaceArea	285.75
Relative PSA	0.18103
PolarSurfaceArea	60.09
Druglikeness	-0.032439
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.59259
Fragments	1
Non HAtoms	27
NonCHAtoms	5
Electronegative Atoms	5
StereoCenters	1
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	12
Amines	1
AlkylAmines	1
Aromatic Nitrogens	1
BasicNitrogens	1
StereoCon	this enantiomer

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1 - (1S)-6-methoxy-1-(3-methoxy-4-propoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium | 2 - (1S)-6-methoxy-1-(3-methoxy-4-propoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium

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