2-[3-[(Z)-(4,6-dioxo-1-prop-2-enyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]indol-1-yl]acetic acid

Formula:C18H15N3O4S Mutagenic:high Tumorigenic:none Reproductive Effective:high 2-[3-[(Z)-(4,6-dioxo-1-prop-2-enyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]indol-1-yl]acetic acid is a drug-like molecule.

MolName	2-[3-[(Z)-(4,6-dioxo-1-prop-2-enyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]indol-1-yl]acetic acid
MolecularFormula	C18H15N3O4S
Smiles	C=CCN(C(/C(/C(N1)=O)=C\c2cn(CC(O)=O)c3c2cccc3)=O)C1=S
InChI	InChI=1S/C18H15N3O4S/c1-2-7-21-17(25)13(16(24)19-18(21)26)8-11-9-20(10-15(22)23)14-6-4-3-5-12(11)14/h2-6,8-9H,1,7,10H2,(H,22,23)(H,19,24,26)
InChIK	YIAZGAWIKPYTSV-UHFFFAOYSA-N
TotalMolweight	369.4
Molweight	369.4
MonoisotopicMass	369.078327
CLogP	0.8478
CLogS	-2.303
H Acceptors	7
H Donors	2
TotalSurfaceArea	274.4
Relative PSA	0.37208
PolarSurfaceArea	123.73
Druglikeness	-3.563
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	26
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	9
Sp3Atoms	4
Amides	2
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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