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

Formula:C27H23N3O Mutagenic:low Tumorigenic:none Reproductive Effective:none N-benzyl-1-(2-phenylethyl)-9H-pyrido[3,4-b]indole-3-carboxamide is not a drug-like molecule.

MolName	N-benzyl-1-(2-phenylethyl)-9H-pyrido[3,4-b]indole-3-carboxamide
MolecularFormula	C27H23N3O
Smiles	O=C(c1nc(CCc2ccccc2)c2[nH]c(cccc3)c3c2c1)NCc1ccccc1
InChI	InChI=1S/C27H23N3O/c31-27(28-18-20-11-5-2-6-12-20)25-17-22-21-13-7-8-14-23(21)30-26(22)24(29-25)16-15-19-9-3-1-4-10-19/h1-14,17,30H,15-16,18H2,(H,28,31)
InChIK	SCMIDZZNFRDWSH-UHFFFAOYSA-N
TotalMolweight	405.5
Molweight	405.5
MonoisotopicMass	405.184112
CLogP	5.1813
CLogS	-5.861
H Acceptors	4
H Donors	2
TotalSurfaceArea	320.8
Relative PSA	0.15418
PolarSurfaceArea	57.78
Druglikeness	0.13431
Mutagenic	low
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.51613
Fragments	1
Non HAtoms	31
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	25
Sp3Atoms	3
Symmetricatoms	4
Amides	1
Aromatic Nitrogens	2
StereoCon

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