1-(1,3-benzodioxol-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]-9H-pyrido[3,4-b]indole-3-carboxamide

Formula:C24H21N3O4 Mutagenic:low Tumorigenic:none Reproductive Effective:none 1-(1,3-benzodioxol-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]-9H-pyrido[3,4-b]indole-3-carboxamide is a drug-like molecule.

MolName	1-(1,3-benzodioxol-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]-9H-pyrido[3,4-b]indole-3-carboxamide
MolecularFormula	C24H21N3O4
Smiles	O=C(c1nc(-c(cc2)cc3c2OCO3)c2[nH]c(cccc3)c3c2c1)NC[C@@H]1OCCC1
InChI	InChI=1S/C24H21N3O4/c28-24(25-12-15-4-3-9-29-15)19-11-17-16-5-1-2-6-18(16)26-23(17)22(27-19)14-7-8-20-21(10-14)31-13-30-20/h1-2,5-8,10-11,15,26H,3-4,9,12-13H2,(H,25,28)/t15-/m1/s1
InChIK	BOCPSOVBWPJVDJ-OAHLLOKOSA-N
TotalMolweight	415.448
Molweight	415.448
MonoisotopicMass	415.153207
CLogP	3.6692
CLogS	-6.05
H Acceptors	7
H Donors	2
TotalSurfaceArea	304.06
Relative PSA	0.26133
PolarSurfaceArea	85.47
Druglikeness	0.29915
Mutagenic	low
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.45161
Fragments	1
Non HAtoms	31
NonCHAtoms	7
Electronegative Atoms	7
StereoCenters	1
Rotatable Bond	4
Rings Closures	6
Small Rings	6
Aromatic Rings	4
Aromatic Atoms	19
Sp3Atoms	9
Amides	1
Aromatic Nitrogens	2
StereoCon	this enantiomer

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