1-(1,3-benzodioxol-5-yl)-N-[(4-chlorophenyl)methyl]-9H-pyrido[3,4-b]indole-3-carboxamide

Formula:C26H18N3O3Cl Mutagenic:low Tumorigenic:none Reproductive Effective:none 1-(1,3-benzodioxol-5-yl)-N-[(4-chlorophenyl)methyl]-9H-pyrido[3,4-b]indole-3-carboxamide is not a drug-like molecule.

MolName	1-(1,3-benzodioxol-5-yl)-N-[(4-chlorophenyl)methyl]-9H-pyrido[3,4-b]indole-3-carboxamide
MolecularFormula	C26H18N3O3Cl
Smiles	O=C(c1nc(-c(cc2)cc3c2OCO3)c2[nH]c(cccc3)c3c2c1)NCc(cc1)ccc1Cl
InChI	InChI=1S/C26H18ClN3O3/c27-17-8-5-15(6-9-17)13-28-26(31)21-12-19-18-3-1-2-4-20(18)29-25(19)24(30-21)16-7-10-22-23(11-16)33-14-32-22/h1-12,29H,13-14H2,(H,28,31)
InChIK	HKWJUJBOZCVYRO-UHFFFAOYSA-N
TotalMolweight	455.9
Molweight	455.9
MonoisotopicMass	455.103669
CLogP	5.3935
CLogS	-7.424
H Acceptors	6
H Donors	2
TotalSurfaceArea	328.96
Relative PSA	0.21115
PolarSurfaceArea	76.24
Druglikeness	1.2656
Mutagenic	low
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.48485
Fragments	1
Non HAtoms	33
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	6
Small Rings	6
Aromatic Rings	5
Aromatic Atoms	25
Sp3Atoms	4
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	2
StereoCon

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