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DocumentationIdentifier: MM392507
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM392507 |
| SMILES |
C#CCOC(CO)C(C)N
|
| InChIKey |
KVIOQPDYFVUGGD-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
-0.66
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM60913
Similarity: 0.8115
Similarity to MM60913
| Tanimoto metric | 0.8115 |
|---|---|
| Cosine metric | 0.9008 |
| Dice metric | 0.8959 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM74144
Similarity: 0.7295
Similarity to MM74144
| Tanimoto metric | 0.7295 |
|---|---|
| Cosine metric | 0.8541 |
| Dice metric | 0.8436 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM392320
Similarity: 0.7279
Similarity to MM392320
| Tanimoto metric | 0.7279 |
|---|---|
| Cosine metric | 0.8432 |
| Dice metric | 0.8426 |
| MW: | 149.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+314 more
