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

Formula:C26H20N3OBr Mutagenic:low Tumorigenic:none Reproductive Effective:none 1-(3-bromophenyl)-N-(2-phenylethyl)-9H-pyrido[3,4-b]indole-3-carboxamide is not a drug-like molecule.

MolName	1-(3-bromophenyl)-N-(2-phenylethyl)-9H-pyrido[3,4-b]indole-3-carboxamide
MolecularFormula	C26H20N3OBr
Smiles	O=C(c(nc1-c2cccc(Br)c2)cc2c1[nH]c1c2cccc1)NCCc1ccccc1
InChI	InChI=1S/C26H20BrN3O/c27-19-10-6-9-18(15-19)24-25-21(20-11-4-5-12-22(20)29-25)16-23(30-24)26(31)28-14-13-17-7-2-1-3-8-17/h1-12,15-16,29H,13-14H2,(H,28,31)
InChIK	CQVXXPMGKGZONV-UHFFFAOYSA-N
TotalMolweight	470.369
Molweight	470.369
MonoisotopicMass	469.078973
CLogP	5.8314
CLogS	-6.923
H Acceptors	4
H Donors	2
TotalSurfaceArea	325.67
Relative PSA	0.15187
PolarSurfaceArea	57.78
Druglikeness	-0.3931
Mutagenic	low
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.48387
Fragments	1
Non HAtoms	31
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	25
Sp3Atoms	2
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	2
StereoCon

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