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C25H21N4O5F | Cheminformatics
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(5E)-1-(2-fluorophenyl)-5-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-1,3-diazinane-2,4,6-trione

Molecular Formula : C25H21N4O5F | Mutagenic : none | Tumorigenic : none | Reproductive Effective : high |
(5E)-1-(2-fluorophenyl)-5-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-1,3-diazinane-2,4,6-trione is a drug-like molecule.

MolName : (5E)-1-(2-fluorophenyl)-5-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-1,3-diazinane-2,4,6-trione

MolecularFormula : C25H21N4O5F

Smiles : O=C(Cn1c(cccc2)c2c(/C=C(\C(NC(N2c(cccc3)c3F)=O)=O)/C2=O)c1)N1CCOCC1

InChI : InChI=1S/C25H21FN4O5/c26-19-6-2-4-8-21(19)30-24(33)18(23(32)27-25(30)34)13-16-14-29(20-7-3-1-5-17(16)20)15-22(31)28-9-11-35-12-10-28/h1-8,13-14H,9-12,15H2,(H,27,32,34)

InChIK : JYZMQQFMQMOCHV-UHFFFAOYSA-N

TotalMolweight : 476.463

Molweight : 476.463

MonoisotopicMass : 476.149599

CLogP : 1.5973

CLogS : -3.566

H Acceptors : 9

H Donors : 1

TotalSurfaceArea : 342.74

Relative PSA : 0.25556

PolarSurfaceArea : 100.95

Druglikeness : 4.2731

Mutagenic : none

Tumorigenic : none

Reproductive Effective : high

Irritant : none

Nasty Functions : twice activated DB

Shape Index : 0.48571

Fragments : 1

Non HAtoms : 35

NonCHAtoms : 10

Electronegative Atoms : 10

Rotatable Bond : 4

Rings Closures : 5

Small Rings : 5

Aromatic Rings : 3

Aromatic Atoms : 15

Sp3Atoms : 6

Symmetricatoms : 2

Amides : 3

Aromatic Nitrogens : 1

StereoCon :

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