8-fluoro-3-[(Z)-(4-methoxyphenyl)methylideneamino]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione

Formula:C18H13N4O3F Mutagenic:none Tumorigenic:none Reproductive Effective:none 8-fluoro-3-[(Z)-(4-methoxyphenyl)methylideneamino]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione is a drug-like molecule.

MolName	8-fluoro-3-[(Z)-(4-methoxyphenyl)methylideneamino]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione
MolecularFormula	C18H13N4O3F
Smiles	COc1ccc(/C=N\N(C(c([nH]c(cc2)c3cc2F)c3N2)=O)C2=O)cc1
InChI	InChI=1S/C18H13FN4O3/c1-26-12-5-2-10(3-6-12)9-20-23-17(24)16-15(22-18(23)25)13-8-11(19)4-7-14(13)21-16/h2-9,21H,1H3,(H,22,25)
InChIK	BNXUQXLTTCWWOG-UHFFFAOYSA-N
TotalMolweight	352.324
Molweight	352.324
MonoisotopicMass	352.097169
CLogP	2.5472
CLogS	-4.979
H Acceptors	7
H Donors	2
TotalSurfaceArea	254.32
Relative PSA	0.30116
PolarSurfaceArea	86.79
Druglikeness	3.9283
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.61538
Fragments	1
Non HAtoms	26
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	2
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	1
StereoCon

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1 - 8-fluoro-3-[(Z)-(4-methoxyphenyl)methylideneamino]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione | 2 - 8-fluoro-3-[(Z)-(4-methoxyphenyl)methylideneamino]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione

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