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DocumentationIdentifier: MM96054
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM96054 |
| SMILES |
CC#CCNC(=N)CCO
|
| InChIKey |
WXSRXFGWXMPMDX-UHFFFAOYSA-N
|
| MW [Da] |
140.19
Automatically obtained from RDkit software. |
| LogP |
-0.04
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM156352
Similarity: 0.8557
Similarity to MM156352
| Tanimoto metric | 0.8557 |
|---|---|
| Cosine metric | 0.925 |
| Dice metric | 0.9222 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM167701
Similarity: 0.7835
Similarity to MM167701
| Tanimoto metric | 0.7835 |
|---|---|
| Cosine metric | 0.8852 |
| Dice metric | 0.8786 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM87201
Similarity: 0.7434
Similarity to MM87201
| Tanimoto metric | 0.7434 |
|---|---|
| Cosine metric | 0.8529 |
| Dice metric | 0.8528 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+358 more
