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

Formula:C25H18N4O3 Mutagenic:low Tumorigenic:none Reproductive Effective:none 1-(1,3-benzodioxol-5-yl)-N-(pyridin-4-ylmethyl)-9H-pyrido[3,4-b]indole-3-carboxamide is a drug-like molecule.

MolName	1-(1,3-benzodioxol-5-yl)-N-(pyridin-4-ylmethyl)-9H-pyrido[3,4-b]indole-3-carboxamide
MolecularFormula	C25H18N4O3
Smiles	O=C(c1nc(-c(cc2)cc3c2OCO3)c2[nH]c(cccc3)c3c2c1)NCc1ccncc1
InChI	InChI=1S/C25H18N4O3/c30-25(27-13-15-7-9-26-10-8-15)20-12-18-17-3-1-2-4-19(17)28-24(18)23(29-20)16-5-6-21-22(11-16)32-14-31-21/h1-12,28H,13-14H2,(H,27,30)
InChIK	TWAKTNIGRJORJC-UHFFFAOYSA-N
TotalMolweight	422.443
Molweight	422.443
MonoisotopicMass	422.137891
CLogP	3.7866
CLogS	-5.893
H Acceptors	7
H Donors	2
TotalSurfaceArea	312.3
Relative PSA	0.25754
PolarSurfaceArea	89.13
Druglikeness	1.1927
Mutagenic	low
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.46875
Fragments	1
Non HAtoms	32
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	3
StereoCon

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