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DocumentationIdentifier: MM90767
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM90767 |
| SMILES |
CCNC(=N)C#CCNC
|
| InChIKey |
RWSBPXFKMYRMGM-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
-0.2
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM158488
Similarity: 0.9359
Similarity to MM158488
| Tanimoto metric | 0.9359 |
|---|---|
| Cosine metric | 0.9674 |
| Dice metric | 0.9669 |
| MW: | 125.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM252882
Similarity: 0.875
Similarity to MM252882
| Tanimoto metric | 0.875 |
|---|---|
| Cosine metric | 0.9347 |
| Dice metric | 0.9333 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM96072
Similarity: 0.875
Similarity to MM96072
| Tanimoto metric | 0.875 |
|---|---|
| Cosine metric | 0.9341 |
| Dice metric | 0.9333 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+489 more
