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

Formula:C21H15N4O3ClS Mutagenic:high Tumorigenic:none Reproductive Effective:high 2-[3-[(E)-[1-(4-chlorophenyl)-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-(4-chlorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]indol-1-yl]acetamide
MolecularFormula	C21H15N4O3ClS
Smiles	NC(Cn1c(cccc2)c2c(/C=C(\C(NC(N2c(cc3)ccc3Cl)=S)=O)/C2=O)c1)=O
InChI	InChI=1S/C21H15ClN4O3S/c22-13-5-7-14(8-6-13)26-20(29)16(19(28)24-21(26)30)9-12-10-25(11-18(23)27)17-4-2-1-3-15(12)17/h1-10H,11H2,(H2,23,27)(H,24,28,30)
InChIK	MQESVMJQAYOVFK-UHFFFAOYSA-N
TotalMolweight	438.894
Molweight	438.894
MonoisotopicMass	438.055338
CLogP	1.876
CLogS	-4.451
H Acceptors	7
H Donors	2
TotalSurfaceArea	313.45
Relative PSA	0.33265
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	0.5
Fragments	1
Non HAtoms	30
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	2
Symmetricatoms	2
Amides	3
Aromatic Nitrogens	1
StereoCon

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