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DocumentationIdentifier: MM172260
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM172260 |
| SMILES |
C#CC(C)C(N)COC
|
| InChIKey |
KVBJOZZZTRNGMP-UHFFFAOYSA-N
|
| MW [Da] |
127.19
Automatically obtained from RDkit software. |
| LogP |
0.23
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM407540
Similarity: 0.901
Similarity to MM407540
| Tanimoto metric | 0.901 |
|---|---|
| Cosine metric | 0.9492 |
| Dice metric | 0.9479 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM348699
Similarity: 0.8585
Similarity to MM348699
| Tanimoto metric | 0.8585 |
|---|---|
| Cosine metric | 0.9265 |
| Dice metric | 0.9239 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM348746
Similarity: 0.8053
Similarity to MM348746
| Tanimoto metric | 0.8053 |
|---|---|
| Cosine metric | 0.8974 |
| Dice metric | 0.8922 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+557 more
