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

Formula:C28H22N3O4F Mutagenic:none Tumorigenic:none Reproductive Effective:high (5E)-1-(4-fluorophenyl)-5-[[1-(3-phenoxypropyl)indol-3-yl]methylidene]-1,3-diazinane-2,4,6-trione is a drug-like molecule.

MolName	(5E)-1-(4-fluorophenyl)-5-[[1-(3-phenoxypropyl)indol-3-yl]methylidene]-1,3-diazinane-2,4,6-trione
MolecularFormula	C28H22N3O4F
Smiles	O=C(/C(/C(N1c(cc2)ccc2F)=O)=C\c2cn(CCCOc3ccccc3)c3c2cccc3)NC1=O
InChI	InChI=1S/C28H22FN3O4/c29-20-11-13-21(14-12-20)32-27(34)24(26(33)30-28(32)35)17-19-18-31(25-10-5-4-9-23(19)25)15-6-16-36-22-7-2-1-3-8-22/h1-5,7-14,17-18H,6,15-16H2,(H,30,33,35)
InChIK	SIMCELPAASCCCY-UHFFFAOYSA-N
TotalMolweight	483.498
Molweight	483.498
MonoisotopicMass	483.159435
CLogP	4.1575
CLogS	-5.614
H Acceptors	7
H Donors	1
TotalSurfaceArea	360.43
Relative PSA	0.19699
PolarSurfaceArea	80.64
Druglikeness	4.054
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.55556
Fragments	1
Non HAtoms	36
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	4
Symmetricatoms	4
Amides	2
Aromatic Nitrogens	1
StereoCon

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