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DocumentationIdentifier: MM405497
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM405497 |
| SMILES |
CC#CCNC(C#N)CC
|
| InChIKey |
UODDDSHQPGCJSA-UHFFFAOYSA-N
|
| MW [Da] |
136.2
Automatically obtained from RDkit software. |
| LogP |
0.9
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM167672
Similarity: 0.7065
Similarity to MM167672
| Tanimoto metric | 0.7065 |
|---|---|
| Cosine metric | 0.8405 |
| Dice metric | 0.828 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM392737
Similarity: 0.6903
Similarity to MM392737
| Tanimoto metric | 0.6903 |
|---|---|
| Cosine metric | 0.8173 |
| Dice metric | 0.8168 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM370454
Similarity: 0.6768
Similarity to MM370454
| Tanimoto metric | 0.6768 |
|---|---|
| Cosine metric | 0.812 |
| Dice metric | 0.8072 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+297 more
