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2-[4-[(2R,4S)-5-[(3S,5R)-3,5-dibenzyl-2-oxopyrrolidin-1-yl]-4-hydroxy-2-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoyl]pentyl]phenoxy]ethyl morpholine-4-carboxylate

Formula:C46H53N3O8 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[4-[(2R,4S)-5-[(3S,5R)-3,5-dibenzyl-2-oxopyrrolidin-1-yl]-4-hydroxy-2-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoyl]pentyl]phenoxy]ethyl morpholine-4-carboxylate is not a drug-like molecule.
MolName2-[4-[(2R,4S)-5-[(3S,5R)-3,5-dibenzyl-2-oxopyrrolidin-1-yl]-4-hydroxy-2-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoyl]pentyl]phenoxy]ethyl morpholine-4-carboxylate
MolecularFormulaC46H53N3O8
SmilesO[C@@H](C[C@@H](Cc(cc1)ccc1OCCOC(N1CCOCC1)=O)C(N[C@H]([C@@H](C1)O)c2c1cccc2)=O)CN([C@@H](Cc1ccccc1)C[C@@H]1Cc2ccccc2)C1=O
InChIInChI=1S/C46H53N3O8/c50-39(31-49-38(27-33-11-5-2-6-12-33)28-37(45(49)53)26-32-9-3-1-4-10-32)29-36(44(52)47-43-41-14-8-7-13-35(41)30-42(43)51)25-34-15-17-40(18-16-34)56-23-24-57-46(54)48-19-21-55-22-20-48/h1-18,36-39,42-43,50-51H,19-31H2,(H,47,52)/t36-,37+
InChIKFKLCRUVOWWCXRT-VPISVCLZSA-N
TotalMolweight775.94
Molweight775.94
MonoisotopicMass775.383267
CLogP5.7631
CLogS-6.175
H Acceptors11
H Donors3
TotalSurfaceArea593.93
Relative PSA0.19174
PolarSurfaceArea137.87
Druglikeness-6.4681
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritanthigh
Nasty Functions
Shape Index0.45614
Fragments1
Non HAtoms57
NonCHAtoms11
Electronegative Atoms11
StereoCenters6
Rotatable Bond17
Rings Closures7
Small Rings7
Aromatic Rings4
Aromatic Atoms24
Sp3Atoms24
Symmetricatoms8
Amides3
StereoConthis enantiomer

Request More Details | 2-[4-[(2R,4S)-5-[(3S,5R)-3,5-dibenzyl-2-oxopyrrolidin-1-yl]-4-hydroxy-2-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoyl]pentyl]phenoxy]ethyl morpholine-4-carboxylate


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