N-(1-benzylpiperidin-4-yl)-1-phenyl-9H-pyrido[3,4-b]indole-3-carboxamide

Formula:C30H28N4O Mutagenic:low Tumorigenic:none Reproductive Effective:none N-(1-benzylpiperidin-4-yl)-1-phenyl-9H-pyrido[3,4-b]indole-3-carboxamide is not a drug-like molecule.

MolName	N-(1-benzylpiperidin-4-yl)-1-phenyl-9H-pyrido[3,4-b]indole-3-carboxamide
MolecularFormula	C30H28N4O
Smiles	O=C(c1nc(-c2ccccc2)c2[nH]c(cccc3)c3c2c1)NC1CCN(Cc2ccccc2)CC1
InChI	InChI=1S/C30H28N4O/c35-30(31-23-15-17-34(18-16-23)20-21-9-3-1-4-10-21)27-19-25-24-13-7-8-14-26(24)32-29(25)28(33-27)22-11-5-2-6-12-22/h1-14,19,23,32H,15-18,20H2,(H,31,35)
InChIK	VYRKVKXYQIKPGK-UHFFFAOYSA-N
TotalMolweight	460.579
Molweight	460.579
MonoisotopicMass	460.226311
CLogP	5.1772
CLogS	-6.164
H Acceptors	5
H Donors	2
TotalSurfaceArea	357.62
Relative PSA	0.14823
PolarSurfaceArea	61.02
Druglikeness	8.085
Mutagenic	low
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.51429
Fragments	1
Non HAtoms	35
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	5
Rings Closures	6
Small Rings	6
Aromatic Rings	5
Aromatic Atoms	25
Sp3Atoms	7
Symmetricatoms	6
Amides	1
Amines	1
AlkylAmines	1
Aromatic Nitrogens	2
BasicNitrogens	1
StereoCon

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