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

Formula:C25H17N3OBrF Mutagenic:low Tumorigenic:none Reproductive Effective:none 1-(3-bromophenyl)-N-[(4-fluorophenyl)methyl]-9H-pyrido[3,4-b]indole-3-carboxamide is not a drug-like molecule.

MolName	1-(3-bromophenyl)-N-[(4-fluorophenyl)methyl]-9H-pyrido[3,4-b]indole-3-carboxamide
MolecularFormula	C25H17N3OBrF
Smiles	O=C(c(nc1-c2cccc(Br)c2)cc2c1[nH]c1c2cccc1)NCc(cc1)ccc1F
InChI	InChI=1S/C25H17BrFN3O/c26-17-5-3-4-16(12-17)23-24-20(19-6-1-2-7-21(19)29-24)13-22(30-23)25(31)28-14-15-8-10-18(27)11-9-15/h1-13,29H,14H2,(H,28,31)
InChIK	UNGVVKNVSUZVPW-UHFFFAOYSA-N
TotalMolweight	474.332
Molweight	474.332
MonoisotopicMass	473.053901
CLogP	5.5021
CLogS	-7.125
H Acceptors	4
H Donors	2
TotalSurfaceArea	318.26
Relative PSA	0.15541
PolarSurfaceArea	57.78
Druglikeness	-1.835
Mutagenic	low
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.48387
Fragments	1
Non HAtoms	31
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	25
Sp3Atoms	1
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	2
StereoCon

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