N-[4-[5-(1,3-benzodioxol-5-yl)-3-ethoxy-1,2,4-triazol-1-yl]phenyl]-3,3-dimethylbutanamide

Formula:C23H26N4O4 Mutagenic:high Tumorigenic:high Reproductive Effective:low N-[4-[5-(1,3-benzodioxol-5-yl)-3-ethoxy-1,2,4-triazol-1-yl]phenyl]-3,3-dimethylbutanamide is a drug-like molecule.

MolName	N-[4-[5-(1,3-benzodioxol-5-yl)-3-ethoxy-1,2,4-triazol-1-yl]phenyl]-3,3-dimethylbutanamide
MolecularFormula	C23H26N4O4
Smiles	CCOc(nc1-c(cc2)cc3c2OCO3)nn1-c(cc1)ccc1NC(CC(C)(C)C)=O
InChI	InChI=1S/C23H26N4O4/c1-5-29-22-25-21(15-6-11-18-19(12-15)31-14-30-18)27(26-22)17-9-7-16(8-10-17)24-20(28)13-23(2,3)4/h6-12H,5,13-14H2,1-4H3,(H,24,28)
InChIK	DMYBZGVRPIPFBQ-UHFFFAOYSA-N
TotalMolweight	422.483
Molweight	422.483
MonoisotopicMass	422.195406
CLogP	4.5615
CLogS	-6.392
H Acceptors	8
H Donors	1
TotalSurfaceArea	325.94
Relative PSA	0.2556
PolarSurfaceArea	87.5
Druglikeness	-1.2885
Mutagenic	high
Tumorigenic	high
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.51613
Fragments	1
Non HAtoms	31
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	11
Symmetricatoms	4
Amides	1
Aromatic Nitrogens	3
StereoCon

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