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DocumentationIdentifier: MM258126
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM258126 |
| SMILES |
CC(C)NCCC(=O)CO
|
| InChIKey |
ADSRETIUYNTLIF-UHFFFAOYSA-N
|
| MW [Da] |
145.2
Automatically obtained from RDkit software. |
| LogP |
-0.06
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM71710
Similarity: 0.8295
Similarity to MM71710
| Tanimoto metric | 0.8295 |
|---|---|
| Cosine metric | 0.9077 |
| Dice metric | 0.9068 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM463453
Similarity: 0.7374
Similarity to MM463453
| Tanimoto metric | 0.7374 |
|---|---|
| Cosine metric | 0.8491 |
| Dice metric | 0.8488 |
| MW: | 142.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM113001
Similarity: 0.7262
Similarity to MM113001
| Tanimoto metric | 0.7262 |
|---|---|
| Cosine metric | 0.8522 |
| Dice metric | 0.8414 |
| MW: | 117.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+261 more
