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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-(pyridin-2-ylmethoxy)phenyl]methyl]pentanamide

Formula:C45H47N3O5 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-(pyridin-2-ylmethoxy)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-(pyridin-2-ylmethoxy)phenyl]methyl]pentanamide
MolecularFormulaC45H47N3O5
SmilesO[C@@H](C[C@@H](Cc(cc1)ccc1OCc1ncccc1)C(N[C@H]([C@@H](C1)O)c2c1cccc2)=O)CN([C@@H](Cc1ccccc1)C[C@@H]1Cc2ccccc2)C1=O
InChIInChI=1S/C45H47N3O5/c49-39(29-48-38(25-32-13-5-2-6-14-32)26-36(45(48)52)24-31-11-3-1-4-12-31)27-35(44(51)47-43-41-17-8-7-15-34(41)28-42(43)50)23-33-18-20-40(21-19-33)53-30-37-16-9-10-22-46-37/h1-22,35-36,38-39,42-43,49-50H,23-30H2,(H,47,51)/t35-,36+,38-,3
InChIKGOAFEXZAYADMHY-JNSAXMRKSA-N
TotalMolweight709.884
Molweight709.884
MonoisotopicMass709.351572
CLogP6.3056
CLogS-6.64
H Acceptors8
H Donors3
TotalSurfaceArea549.1
Relative PSA0.16074
PolarSurfaceArea111.99
Druglikeness5.4463
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.43396
Fragments1
Non HAtoms53
NonCHAtoms8
Electronegative Atoms8
StereoCenters6
Rotatable Bond15
Rings Closures7
Small Rings7
Aromatic Rings5
Aromatic Atoms30
Sp3Atoms17
Symmetricatoms6
Amides2
Aromatic Nitrogens1
StereoConthis enantiomer

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