(5E)-1-(4-fluorophenyl)-5-[(5-piperidin-1-ylfuran-2-yl)methylidene]-1,3-diazinane-2,4,6-trione

Formula:C20H18N3O4F Mutagenic:high Tumorigenic:high Reproductive Effective:high (5E)-1-(4-fluorophenyl)-5-[(5-piperidin-1-ylfuran-2-yl)methylidene]-1,3-diazinane-2,4,6-trione is a drug-like molecule.

MolName	(5E)-1-(4-fluorophenyl)-5-[(5-piperidin-1-ylfuran-2-yl)methylidene]-1,3-diazinane-2,4,6-trione
MolecularFormula	C20H18N3O4F
Smiles	O=C(/C(/C(N1c(cc2)ccc2F)=O)=C\c2ccc(N3CCCCC3)o2)NC1=O
InChI	InChI=1S/C20H18FN3O4/c21-13-4-6-14(7-5-13)24-19(26)16(18(25)22-20(24)27)12-15-8-9-17(28-15)23-10-2-1-3-11-23/h4-9,12H,1-3,10-11H2,(H,22,25,27)
InChIK	YPJWNMHWDXRXSG-UHFFFAOYSA-N
TotalMolweight	383.378
Molweight	383.378
MonoisotopicMass	383.128135
CLogP	2.6293
CLogS	-5.4
H Acceptors	7
H Donors	1
TotalSurfaceArea	280.88
Relative PSA	0.25559
PolarSurfaceArea	82.86
Druglikeness	3.582
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.57143
Fragments	1
Non HAtoms	28
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	5
Symmetricatoms	4
Amides	2
StereoCon

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