N-(1,3-benzodioxol-5-yl)-2-[3-[(E)-2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]indol-1-yl]acetamide

Formula:C23H17N5O7 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-(1,3-benzodioxol-5-yl)-2-[3-[(E)-2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]indol-1-yl]acetamide is not a drug-like molecule.

MolName	N-(1,3-benzodioxol-5-yl)-2-[3-[(E)-2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]indol-1-yl]acetamide
MolecularFormula	C23H17N5O7
Smiles	[O-][N+](C(C(N1)=O)=C(/C=C/c2cn(CC(Nc(cc3)cc4c3OCO4)=O)c3c2cccc3)NC1=O)=O
InChI	InChI=1S/C23H17N5O7/c29-20(24-14-6-8-18-19(9-14)35-12-34-18)11-27-10-13(15-3-1-2-4-17(15)27)5-7-16-21(28(32)33)22(30)26-23(31)25-16/h1-10H,11-12H2,(H,24,29)(H2,25,26,30,31)
InChIK	QXMCOHTYDNPUPL-UHFFFAOYSA-N
TotalMolweight	475.416
Molweight	475.416
MonoisotopicMass	475.1128
CLogP	1.2217
CLogS	-5.284
H Acceptors	12
H Donors	3
TotalSurfaceArea	338.06
Relative PSA	0.38688
PolarSurfaceArea	156.51
Druglikeness	-0.72169
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.48571
Fragments	1
Non HAtoms	35
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	5
Amides	3
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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1 - N-(1,3-benzodioxol-5-yl)-2-[3-[(E)-2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]indol-1-yl]acetamide | 2 - N-(1,3-benzodioxol-5-yl)-2-[3-[(E)-2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]indol-1-yl]acetamide

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