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DocumentationIdentifier: MM388025
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM388025 |
| SMILES |
COC(C(C)O)C(O)C#N
|
| InChIKey |
GCJAJTQXNTXJLM-UHFFFAOYSA-N
|
| MW [Da] |
145.16
Automatically obtained from RDkit software. |
| LogP |
-0.73
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM94043
Similarity: 0.8175
Similarity to MM94043
| Tanimoto metric | 0.8175 |
|---|---|
| Cosine metric | 0.9015 |
| Dice metric | 0.8996 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM53206
Similarity: 0.7623
Similarity to MM53206
| Tanimoto metric | 0.7623 |
|---|---|
| Cosine metric | 0.8731 |
| Dice metric | 0.8651 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM297558
Similarity: 0.75
Similarity to MM297558
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.8586 |
| Dice metric | 0.8571 |
| MW: | 145.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+248 more
