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DocumentationIdentifier: MM37927
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM37927 |
| SMILES |
C#CC(C#C)N(C)CC#N
|
| InChIKey |
JPMTZPKXLQXHRT-UHFFFAOYSA-N
|
| MW [Da] |
132.17
Automatically obtained from RDkit software. |
| LogP |
0.08
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM348688
Similarity: 0.7091
Similarity to MM348688
| Tanimoto metric | 0.7091 |
|---|---|
| Cosine metric | 0.8321 |
| Dice metric | 0.8298 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM37484
Similarity: 0.6897
Similarity to MM37484
| Tanimoto metric | 0.6897 |
|---|---|
| Cosine metric | 0.8305 |
| Dice metric | 0.8163 |
| MW: | 118.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM72798
Similarity: 0.6271
Similarity to MM72798
| Tanimoto metric | 0.6271 |
|---|---|
| Cosine metric | 0.7742 |
| Dice metric | 0.7708 |
| MW: | 132.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+91 more
