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

Formula:C24H20N5OF Mutagenic:low Tumorigenic:none Reproductive Effective:none 1-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-9H-pyrido[3,4-b]indole-3-carboxamide is a drug-like molecule.

MolName	1-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-9H-pyrido[3,4-b]indole-3-carboxamide
MolecularFormula	C24H20N5OF
Smiles	O=C(c(nc1-c(cc2)ccc2F)cc2c1[nH]c1c2cccc1)NCCCn1cncc1
InChI	InChI=1S/C24H20FN5O/c25-17-8-6-16(7-9-17)22-23-19(18-4-1-2-5-20(18)28-23)14-21(29-22)24(31)27-10-3-12-30-13-11-26-15-30/h1-2,4-9,11,13-15,28H,3,10,12H2,(H,27,31)
InChIK	AGUCCHNVOQDCIC-UHFFFAOYSA-N
TotalMolweight	413.455
Molweight	413.455
MonoisotopicMass	413.165188
CLogP	3.4509
CLogS	-4.653
H Acceptors	6
H Donors	2
TotalSurfaceArea	315.11
Relative PSA	0.21358
PolarSurfaceArea	75.6
Druglikeness	3.2475
Mutagenic	low
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.51613
Fragments	1
Non HAtoms	31
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	24
Sp3Atoms	3
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	4
BasicNitrogens	1
StereoCon

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