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

Formula:C25H17N3OClF Mutagenic:low Tumorigenic:none Reproductive Effective:none N-[(3-chlorophenyl)methyl]-1-(4-fluorophenyl)-9H-pyrido[3,4-b]indole-3-carboxamide is not a drug-like molecule.

MolName	N-[(3-chlorophenyl)methyl]-1-(4-fluorophenyl)-9H-pyrido[3,4-b]indole-3-carboxamide
MolecularFormula	C25H17N3OClF
Smiles	O=C(c1nc(-c(cc2)ccc2F)c2[nH]c(cccc3)c3c2c1)NCc1cccc(Cl)c1
InChI	InChI=1S/C25H17ClFN3O/c26-17-5-3-4-15(12-17)14-28-25(31)22-13-20-19-6-1-2-7-21(19)29-24(20)23(30-22)16-8-10-18(27)11-9-16/h1-13,29H,14H2,(H,28,31)
InChIK	NTMDOBSPAFPTCM-UHFFFAOYSA-N
TotalMolweight	429.881
Molweight	429.881
MonoisotopicMass	429.104417
CLogP	5.3829
CLogS	-7.027
H Acceptors	4
H Donors	2
TotalSurfaceArea	315.05
Relative PSA	0.15699
PolarSurfaceArea	57.78
Druglikeness	0.014085
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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