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DocumentationIdentifier: MM65990
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM65990 |
| SMILES |
N=C(N)C#CC#CCN
|
| InChIKey |
MXDQYRISNGPNIQ-UHFFFAOYSA-N
|
| MW [Da] |
121.14
Automatically obtained from RDkit software. |
| LogP |
-1.11
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM70024
Similarity: 0.9636
Similarity to MM70024
| Tanimoto metric | 0.9636 |
|---|---|
| Cosine metric | 0.9816 |
| Dice metric | 0.9815 |
| MW: | 134.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM106516
Similarity: 0.9245
Similarity to MM106516
| Tanimoto metric | 0.9245 |
|---|---|
| Cosine metric | 0.9615 |
| Dice metric | 0.9608 |
| MW: | 106.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM290162
Similarity: 0.8154
Similarity to MM290162
| Tanimoto metric | 0.8154 |
|---|---|
| Cosine metric | 0.903 |
| Dice metric | 0.8983 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+191 more
