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

Formula:C26H20N3OF Mutagenic:low Tumorigenic:none Reproductive Effective:none 1-(4-fluorophenyl)-N-(2-phenylethyl)-9H-pyrido[3,4-b]indole-3-carboxamide is not a drug-like molecule.

MolName	1-(4-fluorophenyl)-N-(2-phenylethyl)-9H-pyrido[3,4-b]indole-3-carboxamide
MolecularFormula	C26H20N3OF
Smiles	O=C(c(nc1-c(cc2)ccc2F)cc2c1[nH]c1c2cccc1)NCCc1ccccc1
InChI	InChI=1S/C26H20FN3O/c27-19-12-10-18(11-13-19)24-25-21(20-8-4-5-9-22(20)29-25)16-23(30-24)26(31)28-15-14-17-6-2-1-3-7-17/h1-13,16,29H,14-15H2,(H,28,31)
InChIK	FFWUZGLIFBNRCR-UHFFFAOYSA-N
TotalMolweight	409.463
Molweight	409.463
MonoisotopicMass	409.15904
CLogP	5.207
CLogS	-6.403
H Acceptors	4
H Donors	2
TotalSurfaceArea	313.39
Relative PSA	0.15782
PolarSurfaceArea	57.78
Druglikeness	0.0569
Mutagenic	low
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.51613
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	4
Amides	1
Aromatic Nitrogens	2
StereoCon

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