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DocumentationIdentifier: MM370593
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM370593 |
| SMILES |
C#CC#CCNC(C)C#N
|
| InChIKey |
IHMBZCLNVKJXAJ-UHFFFAOYSA-N
|
| MW [Da] |
132.17
Automatically obtained from RDkit software. |
| LogP |
0.12
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: 0.8784
Similarity to MM167672
| Tanimoto metric | 0.8784 |
|---|---|
| Cosine metric | 0.9372 |
| Dice metric | 0.9353 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM370454
Similarity: 0.7831
Similarity to MM370454
| Tanimoto metric | 0.7831 |
|---|---|
| Cosine metric | 0.8784 |
| Dice metric | 0.8784 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM42111
Similarity: 0.7765
Similarity to MM42111
| Tanimoto metric | 0.7765 |
|---|---|
| Cosine metric | 0.8743 |
| Dice metric | 0.8742 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+290 more
