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DocumentationIdentifier: MM72798
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM72798 |
| SMILES |
C#CCN(C)C(C#C)C#N
|
| InChIKey |
HOVOLGQOXNLHNL-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
MM53016
Similarity: 0.8476
Similarity to MM53016
| Tanimoto metric | 0.8476 |
|---|---|
| Cosine metric | 0.9207 |
| Dice metric | 0.9175 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM350715
Similarity: 0.8036
Similarity to MM350715
| Tanimoto metric | 0.8036 |
|---|---|
| Cosine metric | 0.8918 |
| Dice metric | 0.8911 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM350621
Similarity: 0.7949
Similarity to MM350621
| Tanimoto metric | 0.7949 |
|---|---|
| Cosine metric | 0.8857 |
| Dice metric | 0.8857 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+108 more
