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DocumentationIdentifier: MM131525
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM131525 |
| SMILES |
CC(C)(O)CCNC=O
|
| InChIKey |
YWSUGWWWXZXGQS-UHFFFAOYSA-N
|
| MW [Da] |
131.18
Automatically obtained from RDkit software. |
| LogP |
-0.11
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM105546
Similarity: 0.7534
Similarity to MM105546
| Tanimoto metric | 0.7534 |
|---|---|
| Cosine metric | 0.868 |
| Dice metric | 0.8594 |
| MW: | 117.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM239723
Similarity: 0.6887
Similarity to MM239723
| Tanimoto metric | 0.6887 |
|---|---|
| Cosine metric | 0.8299 |
| Dice metric | 0.8156 |
| MW: | 145.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM60628
Similarity: 0.6759
Similarity to MM60628
| Tanimoto metric | 0.6759 |
|---|---|
| Cosine metric | 0.8221 |
| Dice metric | 0.8066 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+355 more
