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DocumentationIdentifier: MM258089
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM258089 |
| SMILES |
CC(C)CNCC(=O)CO
|
| InChIKey |
GFVLXXJUIGVEIZ-UHFFFAOYSA-N
|
| MW [Da] |
145.2
Automatically obtained from RDkit software. |
| LogP |
-0.21
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM133017
Similarity: 0.7179
Similarity to MM133017
| Tanimoto metric | 0.7179 |
|---|---|
| Cosine metric | 0.8473 |
| Dice metric | 0.8358 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.82 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM461075
Similarity: 0.7143
Similarity to MM461075
| Tanimoto metric | 0.7143 |
|---|---|
| Cosine metric | 0.8362 |
| Dice metric | 0.8333 |
| MW: | 131.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM220890
Similarity: 0.6706
Similarity to MM220890
| Tanimoto metric | 0.6706 |
|---|---|
| Cosine metric | 0.8067 |
| Dice metric | 0.8028 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+187 more
