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

Formula:C28H23N3O3 Mutagenic:low Tumorigenic:none Reproductive Effective:none 1-(1,3-benzodioxol-5-yl)-N-(3-phenylpropyl)-9H-pyrido[3,4-b]indole-3-carboxamide is not a drug-like molecule.

MolName	1-(1,3-benzodioxol-5-yl)-N-(3-phenylpropyl)-9H-pyrido[3,4-b]indole-3-carboxamide
MolecularFormula	C28H23N3O3
Smiles	O=C(c1nc(-c(cc2)cc3c2OCO3)c2[nH]c(cccc3)c3c2c1)NCCCc1ccccc1
InChI	InChI=1S/C28H23N3O3/c32-28(29-14-6-9-18-7-2-1-3-8-18)23-16-21-20-10-4-5-11-22(20)30-27(21)26(31-23)19-12-13-24-25(15-19)34-17-33-24/h1-5,7-8,10-13,15-16,30H,6,9,14,17H2,(H,29,32)
InChIK	XXZFNTWBJOZUJW-UHFFFAOYSA-N
TotalMolweight	449.509
Molweight	449.509
MonoisotopicMass	449.173942
CLogP	5.672
CLogS	-7.07
H Acceptors	6
H Donors	2
TotalSurfaceArea	341.06
Relative PSA	0.20366
PolarSurfaceArea	76.24
Druglikeness	-0.89939
Mutagenic	low
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	34
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	6
Small Rings	6
Aromatic Rings	5
Aromatic Atoms	25
Sp3Atoms	6
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	2
StereoCon

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