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DocumentationIdentifier: MM281148
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM281148 |
| SMILES |
C=CNC(=N)CC#CCN
|
| InChIKey |
DVSOOMBQFMIPRP-UHFFFAOYSA-N
|
| MW [Da] |
137.19
Automatically obtained from RDkit software. |
| LogP |
0.05
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM281147
Similarity: 0.8039
Similarity to MM281147
| Tanimoto metric | 0.8039 |
|---|---|
| Cosine metric | 0.8915 |
| Dice metric | 0.8913 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM96187
Similarity: 0.7477
Similarity to MM96187
| Tanimoto metric | 0.7477 |
|---|---|
| Cosine metric | 0.8561 |
| Dice metric | 0.8557 |
| MW: | 133.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM281149
Similarity: 0.7321
Similarity to MM281149
| Tanimoto metric | 0.7321 |
|---|---|
| Cosine metric | 0.8458 |
| Dice metric | 0.8454 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+391 more
