1-(1,3-benzodioxol-5-yl)-N-(3-morpholin-4-ium-4-ylpropyl)-9H-pyrido[3,4-b]indole-3-carboxamide

Formula:C26H27N4O4 Mutagenic:low Tumorigenic:none Reproductive Effective:none 1-(1,3-benzodioxol-5-yl)-N-(3-morpholin-4-ium-4-ylpropyl)-9H-pyrido[3,4-b]indole-3-carboxamide is a drug-like molecule.

MolName	1-(1,3-benzodioxol-5-yl)-N-(3-morpholin-4-ium-4-ylpropyl)-9H-pyrido[3,4-b]indole-3-carboxamide
MolecularFormula	C26H27N4O4
Smiles	O=C(c1nc(-c(cc2)cc3c2OCO3)c2[nH]c(cccc3)c3c2c1)NCCC[NH+]1CCOCC1
InChI	InChI=1S/C26H26N4O4/c31-26(27-8-3-9-30-10-12-32-13-11-30)21-15-19-18-4-1-2-5-20(18)28-25(19)24(29-21)17-6-7-22-23(14-17)34-16-33-22/h1-2,4-7,14-15,28H,3,8-13,16H2,(H,27,31)/p+1
InChIK	NLPBPRZVHDHTJF-UHFFFAOYSA-O
TotalMolweight	459.524
Molweight	459.524
MonoisotopicMass	459.203231
CLogP	1.3829
CLogS	-5.125
H Acceptors	8
H Donors	3
TotalSurfaceArea	357.18
Relative PSA	0.27171
PolarSurfaceArea	89.91
Druglikeness	-0.67877
Mutagenic	low
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	34
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	6
Small Rings	6
Aromatic Rings	4
Aromatic Atoms	19
Sp3Atoms	12
Symmetricatoms	2
Amides	1
Amines	1
AlkylAmines	1
Aromatic Nitrogens	2
BasicNitrogens	1
StereoCon

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1 - 1-(1,3-benzodioxol-5-yl)-N-(3-morpholin-4-ium-4-ylpropyl)-9H-pyrido[3,4-b]indole-3-carboxamide | 2 - 1-(1,3-benzodioxol-5-yl)-N-(3-morpholin-4-ium-4-ylpropyl)-9H-pyrido[3,4-b]indole-3-carboxamide

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