Molecule

ID:106136

General Information
Structure
MolImage
Molecular Formula
C₃₀H₄₀FN₃O₆
Molecular Mass
557.6535032
Exact Mass
557.29011424
Charge
0
InChI
InChI=1S/C30H40FN3O6/c1-19(2)14-25(28(37)32-24(27(36)17-31)16-21-10-12-23(35)13-11-21)33-29(38)26(15-20(3)4)34-30(39)40-18-22-8-6-5-7-9-22/h5-13,19-20,24-26,35H,14-18H2,1-4H3,(H,32,37)(H,33,38)(H,34,39)
InChIKey
JCRSHQCFRMCMOC-UHFFFAOYSA-N
Canonic Smiles
FCC(=O)C(Cc1ccc(cc1)O)NC(=O)C(NC(=O)C(NC(=O)OCc1ccccc1)CC(C)C)CC(C)C
Isomeric Smiles
CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(CC(C)C)C(=O)NC(Cc1ccc(O)cc1)C(=O)CF
Calculated Properties
JChem
Acid pKa
9.501871
H Acceptors
5
H Donor
4
LogD (pH = 5.5)
4.775269
LogD (pH = 7.4)
4.7719126
Log P
4.775312
Molar Refractivity
148.2804
Polarizability
57.79904
Polar Surface Area
133.83
Rotatable Bonds
16
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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