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DocumentationIdentifier: MM61379
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM61379 |
| SMILES |
CCOC(C)(CO)CC#N
|
| InChIKey |
LTUUPPFKIHCPGD-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
0.69
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: 0.8051
Similarity to MM42181
| Tanimoto metric | 0.8051 |
|---|---|
| Cosine metric | 0.8973 |
| Dice metric | 0.892 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM77933
Similarity: 0.7037
Similarity to MM77933
| Tanimoto metric | 0.7037 |
|---|---|
| Cosine metric | 0.8264 |
| Dice metric | 0.8261 |
| MW: | 145.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM51225
Similarity: 0.6695
Similarity to MM51225
| Tanimoto metric | 0.6695 |
|---|---|
| Cosine metric | 0.8182 |
| Dice metric | 0.802 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+162 more
