(3aR,5aR,8R,9S,9aS,9bS)-2-(2,4-difluorophenyl)-8,9-dihydroxy-4,5,5a,7,8,9,9a,9b-octahydro-3aH-benzo[e]isoindole-1,3,6-trione

Formula:C18H17NO5F2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (3aR,5aR,8R,9S,9aS,9bS)-2-(2,4-difluorophenyl)-8,9-dihydroxy-4,5,5a,7,8,9,9a,9b-octahydro-3aH-benzo[e]isoindole-1,3,6-trione is a drug-like molecule.

MolName	(3aR,5aR,8R,9S,9aS,9bS)-2-(2,4-difluorophenyl)-8,9-dihydroxy-4,5,5a,7,8,9,9a,9b-octahydro-3aH-benzo[e]isoindole-1,3,6-trione
MolecularFormula	C18H17NO5F2
Smiles	O[C@H](CC([C@H](CC[C@H]1C(N2c(ccc(F)c3)c3F)=O)[C@H]3[C@@H]1C2=O)=O)[C@H]3O
InChI	InChI=1S/C18H17F2NO5/c19-7-1-4-11(10(20)5-7)21-17(25)9-3-2-8-12(22)6-13(23)16(24)14(8)15(9)18(21)26/h1,4-5,8-9,13-16,23-24H,2-3,6H2/t8-,9+,13-,14+,15+,16-/m1/s1
InChIK	JACJBRWWWHWFPM-ATYIYGQBSA-N
TotalMolweight	365.331
Molweight	365.331
MonoisotopicMass	365.10748
CLogP	0.666
CLogS	-3.676
H Acceptors	6
H Donors	2
TotalSurfaceArea	237.99
Relative PSA	0.28938
PolarSurfaceArea	94.91
Druglikeness	1.315
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.46154
Fragments	1
Non HAtoms	26
NonCHAtoms	8
Electronegative Atoms	8
StereoCenters	6
Rotatable Bond	1
Rings Closures	4
Small Rings	4
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	11
Amides	1
StereoCon	this enantiomer

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1 - (3aR,5aR,8R,9S,9aS,9bS)-2-(2,4-difluorophenyl)-8,9-dihydroxy-4,5,5a,7,8,9,9a,9b-octahydro-3aH-benzo[e]isoindole-1,3,6-trione | 2 - (3aR,5aR,8R,9S,9aS,9bS)-2-(2,4-difluorophenyl)-8,9-dihydroxy-4,5,5a,7,8,9,9a,9b-octahydro-3aH-benzo[e]isoindole-1,3,6-trione

Request More Details | (3aR,5aR,8R,9S,9aS,9bS)-2-(2,4-difluorophenyl)-8,9-dihydroxy-4,5,5a,7,8,9,9a,9b-octahydro-3aH-benzo[e]isoindole-1,3,6-trione

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