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DocumentationIdentifier: MM369102
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM369102 |
| SMILES |
CCC#CC#CC(C)C#N
|
| InChIKey |
MBRRDMMGHHZNHE-UHFFFAOYSA-N
|
| MW [Da] |
131.18
Automatically obtained from RDkit software. |
| LogP |
1.56
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM170861
Similarity: 0.9649
Similarity to MM170861
| Tanimoto metric | 0.9649 |
|---|---|
| Cosine metric | 0.9823 |
| Dice metric | 0.9821 |
| MW: | 117.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM369191
Similarity: 0.873
Similarity to MM369191
| Tanimoto metric | 0.873 |
|---|---|
| Cosine metric | 0.9327 |
| Dice metric | 0.9322 |
| MW: | 127.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM290128
Similarity: 0.8596
Similarity to MM290128
| Tanimoto metric | 0.8596 |
|---|---|
| Cosine metric | 0.9272 |
| Dice metric | 0.9245 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+499 more
