1-(3-bromophenyl)-N-[2-(3-fluorophenyl)ethyl]-9H-pyrido[3,4-b]indole-3-carboxamide

Formula:C26H19N3OBrF Mutagenic:low Tumorigenic:none Reproductive Effective:none 1-(3-bromophenyl)-N-[2-(3-fluorophenyl)ethyl]-9H-pyrido[3,4-b]indole-3-carboxamide is not a drug-like molecule.

MolName	1-(3-bromophenyl)-N-[2-(3-fluorophenyl)ethyl]-9H-pyrido[3,4-b]indole-3-carboxamide
MolecularFormula	C26H19N3OBrF
Smiles	O=C(c(nc1-c2cccc(Br)c2)cc2c1[nH]c1c2cccc1)NCCc1cc(F)ccc1
InChI	InChI=1S/C26H19BrFN3O/c27-18-7-4-6-17(14-18)24-25-21(20-9-1-2-10-22(20)30-25)15-23(31-24)26(32)29-12-11-16-5-3-8-19(28)13-16/h1-10,13-15,30H,11-12H2,(H,29,32)
InChIK	VGGUSVHIIJOLNE-UHFFFAOYSA-N
TotalMolweight	488.359
Molweight	488.359
MonoisotopicMass	487.069551
CLogP	5.9322
CLogS	-7.237
H Acceptors	4
H Donors	2
TotalSurfaceArea	332.02
Relative PSA	0.14897
PolarSurfaceArea	57.78
Druglikeness	-1.7331
Mutagenic	low
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.46875
Fragments	1
Non HAtoms	32
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	25
Sp3Atoms	2
Amides	1
Aromatic Nitrogens	2
StereoCon

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