2-[3-[(E)-[1-(2,4-dichlorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]indol-1-yl]acetamide

Formula:C21H14N4O4Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:high 2-[3-[(E)-[1-(2,4-dichlorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]indol-1-yl]acetamide is a drug-like molecule.

MolName	2-[3-[(E)-[1-(2,4-dichlorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]indol-1-yl]acetamide
MolecularFormula	C21H14N4O4Cl2
Smiles	NC(Cn1c(cccc2)c2c(/C=C(\C(NC(N2c(ccc(Cl)c3)c3Cl)=O)=O)/C2=O)c1)=O
InChI	InChI=1S/C21H14Cl2N4O4/c22-12-5-6-17(15(23)8-12)27-20(30)14(19(29)25-21(27)31)7-11-9-26(10-18(24)28)16-4-2-1-3-13(11)16/h1-9H,10H2,(H2,24,28)(H,25,29,31)
InChIK	IVKFQFZVRCWQSM-UHFFFAOYSA-N
TotalMolweight	457.272
Molweight	457.272
MonoisotopicMass	456.03921
CLogP	2.1215
CLogS	-5.103
H Acceptors	8
H Donors	2
TotalSurfaceArea	313.91
Relative PSA	0.28451
PolarSurfaceArea	114.5
Druglikeness	6.6618
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	low
Nasty Functions	twice activated DB
Shape Index	0.48387
Fragments	1
Non HAtoms	31
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	1
Amides	3
Aromatic Nitrogens	1
StereoCon

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1 - 2-[3-[(E)-[1-(2,4-dichlorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]indol-1-yl]acetamide | 2 - 2-[3-[(E)-[1-(2,4-dichlorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]indol-1-yl]acetamide

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