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DocumentationIdentifier: MM77933
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM77933 |
| SMILES |
COC(CO)(CO)CC#N
|
| InChIKey |
HDVBVHUMOVFQHJ-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
MM42181
Similarity: 0.8482
Similarity to MM42181
| Tanimoto metric | 0.8482 |
|---|---|
| Cosine metric | 0.921 |
| Dice metric | 0.9179 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM196714
Similarity: 0.7054
Similarity to MM196714
| Tanimoto metric | 0.7054 |
|---|---|
| Cosine metric | 0.8399 |
| Dice metric | 0.8272 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM61379
Similarity: 0.7037
Similarity to MM61379
| Tanimoto metric | 0.7037 |
|---|---|
| Cosine metric | 0.8264 |
| Dice metric | 0.8261 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+219 more
