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

Formula:C21H14N4O3Cl2S Mutagenic:high Tumorigenic:none Reproductive Effective:high 2-[3-[(E)-[1-(3,5-dichlorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]indol-1-yl]acetamide is a drug-like molecule.

MolName	2-[3-[(E)-[1-(3,5-dichlorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]indol-1-yl]acetamide
MolecularFormula	C21H14N4O3Cl2S
Smiles	NC(Cn1c(cccc2)c2c(/C=C(\C(NC(N2c3cc(Cl)cc(Cl)c3)=S)=O)/C2=O)c1)=O
InChI	InChI=1S/C21H14Cl2N4O3S/c22-12-6-13(23)8-14(7-12)27-20(30)16(19(29)25-21(27)31)5-11-9-26(10-18(24)28)17-4-2-1-3-15(11)17/h1-9H,10H2,(H2,24,28)(H,25,29,31)
InChIK	GXWHMXLEKUHNQM-UHFFFAOYSA-N
TotalMolweight	473.339
Molweight	473.339
MonoisotopicMass	472.016365
CLogP	2.482
CLogS	-5.187
H Acceptors	7
H Donors	2
TotalSurfaceArea	328.87
Relative PSA	0.31706
PolarSurfaceArea	129.52
Druglikeness	5.7028
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB; thio-amide/urea
Shape Index	0.45161
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	2
Symmetricatoms	3
Amides	3
Aromatic Nitrogens	1
StereoCon

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

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