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(2R,4S)-5-[(3S,5R)-3,5-dibenzyl-2-oxopyrrolidin-1-yl]-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]pentanamide

Formula:C45H53N3O6 Mutagenic:none Tumorigenic:none Reproductive Effective:none (2R,4S)-5-[(3S,5R)-3,5-dibenzyl-2-oxopyrrolidin-1-yl]-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]pentanamide is not a drug-like molecule.
MolName(2R,4S)-5-[(3S,5R)-3,5-dibenzyl-2-oxopyrrolidin-1-yl]-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]pentanamide
MolecularFormulaC45H53N3O6
SmilesO[C@@H](C[C@@H](Cc(cc1)ccc1OCCN1CCOCC1)C(N[C@H]([C@@H](C1)O)c2c1cccc2)=O)CN([C@@H](Cc1ccccc1)C[C@@H]1Cc2ccccc2)C1=O
InChIInChI=1S/C45H53N3O6/c49-39(31-48-38(27-33-11-5-2-6-12-33)28-37(45(48)52)26-32-9-3-1-4-10-32)29-36(44(51)46-43-41-14-8-7-13-35(41)30-42(43)50)25-34-15-17-40(18-16-34)54-24-21-47-19-22-53-23-20-47/h1-18,36-39,42-43,49-50H,19-31H2,(H,46,51)/t36-,37+,38-,39+,
InChIKLXCFLCBSDJGXNU-VPISVCLZSA-N
TotalMolweight731.931
Molweight731.931
MonoisotopicMass731.393437
CLogP5.5032
CLogS-5.578
H Acceptors9
H Donors3
TotalSurfaceArea566.18
Relative PSA0.16044
PolarSurfaceArea111.57
Druglikeness5.6832
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.44444
Fragments1
Non HAtoms54
NonCHAtoms9
Electronegative Atoms9
StereoCenters6
Rotatable Bond16
Rings Closures7
Small Rings7
Aromatic Rings4
Aromatic Atoms24
Sp3Atoms24
Symmetricatoms8
Amides2
Amines1
AlkylAmines1
BasicNitrogens1
StereoConthis enantiomer

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