1-(1,3-benzodioxol-5-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]-9H-pyrido[3,4-b]indole-3-carboxamide

Formula:C27H18N3O3F3 Mutagenic:low Tumorigenic:none Reproductive Effective:none 1-(1,3-benzodioxol-5-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]-9H-pyrido[3,4-b]indole-3-carboxamide is not a drug-like molecule.

MolName	1-(1,3-benzodioxol-5-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]-9H-pyrido[3,4-b]indole-3-carboxamide
MolecularFormula	C27H18N3O3F3
Smiles	O=C(c1nc(-c(cc2)cc3c2OCO3)c2[nH]c(cccc3)c3c2c1)NCc1cccc(C(F)(F)F)c1
InChI	InChI=1S/C27H18F3N3O3/c28-27(29,30)17-5-3-4-15(10-17)13-31-26(34)21-12-19-18-6-1-2-7-20(18)32-25(19)24(33-21)16-8-9-22-23(11-16)36-14-35-22/h1-12,32H,13-14H2,(H,31,34)
InChIK	CWWZSOLEIWVYOZ-UHFFFAOYSA-N
TotalMolweight	489.452
Molweight	489.452
MonoisotopicMass	489.130026
CLogP	5.6358
CLogS	-7.466
H Acceptors	6
H Donors	2
TotalSurfaceArea	343
Relative PSA	0.20251
PolarSurfaceArea	76.24
Druglikeness	-5.9973
Mutagenic	low
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.44444
Fragments	1
Non HAtoms	36
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	6
Small Rings	6
Aromatic Rings	5
Aromatic Atoms	25
Sp3Atoms	5
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	2
StereoCon

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