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

Formula:C25H26N4O2Cl Mutagenic:low Tumorigenic:none Reproductive Effective:none 1-(2-chlorophenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-9H-pyrido[3,4-b]indole-3-carboxamide is a drug-like molecule.

MolName	1-(2-chlorophenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-9H-pyrido[3,4-b]indole-3-carboxamide
MolecularFormula	C25H26N4O2Cl
Smiles	O=C(c(nc1-c(cccc2)c2Cl)cc2c1[nH]c1c2cccc1)NCCC[NH+]1CCOCC1
InChI	InChI=1S/C25H25ClN4O2/c26-20-8-3-1-7-18(20)23-24-19(17-6-2-4-9-21(17)28-24)16-22(29-23)25(31)27-10-5-11-30-12-14-32-15-13-30/h1-4,6-9,16,28H,5,10-15H2,(H,27,31)/p+1
InChIK	IOYFCNABZRZYLP-UHFFFAOYSA-O
TotalMolweight	449.96
Molweight	449.96
MonoisotopicMass	449.174428
CLogP	1.8775
CLogS	-5.15
H Acceptors	6
H Donors	3
TotalSurfaceArea	352.34
Relative PSA	0.21868
PolarSurfaceArea	71.45
Druglikeness	-0.58463
Mutagenic	low
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	32
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	19
Sp3Atoms	9
Symmetricatoms	2
Amides	1
Amines	1
AlkylAmines	1
Aromatic Nitrogens	2
BasicNitrogens	1
StereoCon

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