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(2R,4S)-2-benzyl-5-[(3S,5R)-3-benzyl-2-oxo-5-[(4-phenylmethoxyphenyl)methyl]pyrrolidin-1-yl]-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pentanamide

Formula:C46H48N2O5 Mutagenic:none Tumorigenic:none Reproductive Effective:none (2R,4S)-2-benzyl-5-[(3S,5R)-3-benzyl-2-oxo-5-[(4-phenylmethoxyphenyl)methyl]pyrrolidin-1-yl]-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pentanamide is not a drug-like molecule.
MolName(2R,4S)-2-benzyl-5-[(3S,5R)-3-benzyl-2-oxo-5-[(4-phenylmethoxyphenyl)methyl]pyrrolidin-1-yl]-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pentanamide
MolecularFormulaC46H48N2O5
SmilesO[C@@H](C[C@@H](Cc1ccccc1)C(N[C@H]([C@@H](C1)O)c2c1cccc2)=O)CN([C@@H](Cc(cc1)ccc1OCc1ccccc1)C[C@@H]1Cc2ccccc2)C1=O
InChIInChI=1S/C46H48N2O5/c49-40(28-37(24-32-12-4-1-5-13-32)45(51)47-44-42-19-11-10-18-36(42)29-43(44)50)30-48-39(27-38(46(48)52)25-33-14-6-2-7-15-33)26-34-20-22-41(23-21-34)53-31-35-16-8-3-9-17-35/h1-23,37-40,43-44,49-50H,24-31H2,(H,47,51)/t37-,38+,39-,40+,43-
InChIKLABLLUMGCSURSL-ZAQQJPAKSA-N
TotalMolweight708.896
Molweight708.896
MonoisotopicMass708.356323
CLogP7.2525
CLogS-7.411
H Acceptors7
H Donors3
TotalSurfaceArea550.34
Relative PSA0.14044
PolarSurfaceArea99.1
Druglikeness5.4463
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.45283
Fragments1
Non HAtoms53
NonCHAtoms7
Electronegative Atoms7
StereoCenters6
Rotatable Bond15
Rings Closures7
Small Rings7
Aromatic Rings5
Aromatic Atoms30
Sp3Atoms17
Symmetricatoms8
Amides2
StereoConthis enantiomer

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