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

Formula:C28H25N3O Mutagenic:low Tumorigenic:none Reproductive Effective:none N,1-bis(2-phenylethyl)-9H-pyrido[3,4-b]indole-3-carboxamide is not a drug-like molecule.

MolName	N,1-bis(2-phenylethyl)-9H-pyrido[3,4-b]indole-3-carboxamide
MolecularFormula	C28H25N3O
Smiles	O=C(c1nc(CCc2ccccc2)c2[nH]c(cccc3)c3c2c1)NCCc1ccccc1
InChI	InChI=1S/C28H25N3O/c32-28(29-18-17-21-11-5-2-6-12-21)26-19-23-22-13-7-8-14-24(22)31-27(23)25(30-26)16-15-20-9-3-1-4-10-20/h1-14,19,31H,15-18H2,(H,29,32)
InChIK	YFHNHDFNLOPJDJ-UHFFFAOYSA-N
TotalMolweight	419.527
Molweight	419.527
MonoisotopicMass	419.199762
CLogP	5.6114
CLogS	-5.973
H Acceptors	4
H Donors	2
TotalSurfaceArea	334.56
Relative PSA	0.14784
PolarSurfaceArea	57.78
Druglikeness	0.3469
Mutagenic	low
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.53125
Fragments	1
Non HAtoms	32
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	25
Sp3Atoms	4
Symmetricatoms	4
Amides	1
Aromatic Nitrogens	2
StereoCon

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