5-[(Z)-(8-fluoro-2,4-dioxo-1,5-dihydropyrimido[5,4-b]indol-3-yl)iminomethyl]furan-2-sulfonic acid

Formula:C15H9N4O6FS Mutagenic:high Tumorigenic:high Reproductive Effective:high 5-[(Z)-(8-fluoro-2,4-dioxo-1,5-dihydropyrimido[5,4-b]indol-3-yl)iminomethyl]furan-2-sulfonic acid is a drug-like molecule.

MolName	5-[(Z)-(8-fluoro-2,4-dioxo-1,5-dihydropyrimido[5,4-b]indol-3-yl)iminomethyl]furan-2-sulfonic acid
MolecularFormula	C15H9N4O6FS
Smiles	OS(c1ccc(/C=N\N(C(c([nH]c(cc2)c3cc2F)c3N2)=O)C2=O)o1)(=O)=O
InChI	InChI=1S/C15H9FN4O6S/c16-7-1-3-10-9(5-7)12-13(18-10)14(21)20(15(22)19-12)17-6-8-2-4-11(26-8)27(23,24)25/h1-6,18H,(H,19,22)(H,23,24,25)
InChIK	FULPTORQBJQAKY-UHFFFAOYSA-N
TotalMolweight	392.322
Molweight	392.322
MonoisotopicMass	392.022684
CLogP	-0.326
CLogS	-3.012
H Acceptors	10
H Donors	3
TotalSurfaceArea	256.68
Relative PSA	0.47678
PolarSurfaceArea	153.45
Druglikeness	5.1265
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.55556
Fragments	1
Non HAtoms	27
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	14
Sp3Atoms	2
Symmetricatoms	1
Amides	1
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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