Molecule

ID:60102

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₄N₄O₅S
Molecular Mass
372.43986
Exact Mass
372.14674089
Charge
0
InChI
InChI=1S/C15H24N4O5S/c1-17-11-13(10-16-17)12-18(14(20)4-5-15(21)22)8-9-25(23,24)19-6-2-3-7-19/h10-11H,2-9,12H2,1H3,(H,21,22)
InChIKey
GXYRLHLSJSGNRU-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCC(=O)N(Cc1cnn(c1)C)CCS(=O)(=O)N1CCCC1
Isomeric Smiles
S(=O)(=O)(N1CCCC1)CCN(C(=O)CCC(=O)O)Cc1cn(nc1)C
Calculated Properties
JChem
Acid pKa
3.4769402
H Acceptors
6
H Donor
1
LogD (pH = 5.5)
-3.3342905
LogD (pH = 7.4)
-4.693219
Log P
-1.4639089
Molar Refractivity
102.2247
Polarizability
35.63167
Polar Surface Area
112.81
Rotatable Bonds
8
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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