N-(1,3-benzodioxol-5-yl)-2-[3-[(Z)-1,2,4-triazol-4-yliminomethyl]indol-1-yl]acetamide

Formula:C20H16N6O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-(1,3-benzodioxol-5-yl)-2-[3-[(Z)-1,2,4-triazol-4-yliminomethyl]indol-1-yl]acetamide is a drug-like molecule.

MolName	N-(1,3-benzodioxol-5-yl)-2-[3-[(Z)-1,2,4-triazol-4-yliminomethyl]indol-1-yl]acetamide
MolecularFormula	C20H16N6O3
Smiles	O=C(Cn1c(cccc2)c2c(/C=N\n2cnnc2)c1)Nc(cc1)cc2c1OCO2
InChI	InChI=1S/C20H16N6O3/c27-20(24-15-5-6-18-19(7-15)29-13-28-18)10-25-9-14(8-23-26-11-21-22-12-26)16-3-1-2-4-17(16)25/h1-9,11-12H,10,13H2,(H,24,27)
InChIK	WAFZUFYLKGFMDT-UHFFFAOYSA-N
TotalMolweight	388.386
Molweight	388.386
MonoisotopicMass	388.128389
CLogP	2.154
CLogS	-6.188
H Acceptors	9
H Donors	1
TotalSurfaceArea	291.29
Relative PSA	0.31477
PolarSurfaceArea	95.56
Druglikeness	6.0515
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.55172
Fragments	1
Non HAtoms	29
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	20
Sp3Atoms	4
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	4
StereoCon

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