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DocumentationIdentifier: MM78211
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM78211 |
| SMILES |
C#CC(C#N)(C#N)CCO
|
| InChIKey |
JVMAUVGVWPCGQV-UHFFFAOYSA-N
|
| MW [Da] |
134.14
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
MM139589
Similarity: 0.8454
Similarity to MM139589
| Tanimoto metric | 0.8454 |
|---|---|
| Cosine metric | 0.9194 |
| Dice metric | 0.9162 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM313116
Similarity: 0.7257
Similarity to MM313116
| Tanimoto metric | 0.7257 |
|---|---|
| Cosine metric | 0.841 |
| Dice metric | 0.841 |
| MW: | 133.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM53137
Similarity: 0.7113
Similarity to MM53137
| Tanimoto metric | 0.7113 |
|---|---|
| Cosine metric | 0.8434 |
| Dice metric | 0.8313 |
| MW: | 118.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+217 more
