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

Formula:C23H20N3O2F Mutagenic:low Tumorigenic:none Reproductive Effective:none 1-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-9H-pyrido[3,4-b]indole-3-carboxamide is a drug-like molecule.

MolName	1-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-9H-pyrido[3,4-b]indole-3-carboxamide
MolecularFormula	C23H20N3O2F
Smiles	O=C(c(nc1-c(cc2)ccc2F)cc2c1[nH]c1c2cccc1)NCC1OCCC1
InChI	InChI=1S/C23H20FN3O2/c24-15-9-7-14(8-10-15)21-22-18(17-5-1-2-6-19(17)26-22)12-20(27-21)23(28)25-13-16-4-3-11-29-16/h1-2,5-10,12,16,26H,3-4,11,13H2,(H,25,28)/t16-/m1/s1
InChIK	AXSGJZFDQFXCKM-MRXNPFEDSA-N
TotalMolweight	389.429
Molweight	389.429
MonoisotopicMass	389.153955
CLogP	3.6586
CLogS	-5.653
H Acceptors	5
H Donors	2
TotalSurfaceArea	290.15
Relative PSA	0.20493
PolarSurfaceArea	67.01
Druglikeness	-1.0319
Mutagenic	low
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.48276
Fragments	1
Non HAtoms	29
NonCHAtoms	6
Electronegative Atoms	6
StereoCenters	1
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	19
Sp3Atoms	6
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	2
StereoCon	racemate

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