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DocumentationIdentifier: MM106516
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM106516 |
| SMILES |
CC#CC#CC(=N)N
|
| InChIKey |
RRPIYOCZSXBEBL-UHFFFAOYSA-N
|
| MW [Da] |
106.13
Automatically obtained from RDkit software. |
| LogP |
-0.05
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM65990
Similarity: 0.9245
Similarity to MM65990
| Tanimoto metric | 0.9245 |
|---|---|
| Cosine metric | 0.9615 |
| Dice metric | 0.9608 |
| MW: | 121.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM70024
Similarity: 0.8909
Similarity to MM70024
| Tanimoto metric | 0.8909 |
|---|---|
| Cosine metric | 0.9439 |
| Dice metric | 0.9423 |
| MW: | 134.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM154812
Similarity: 0.8596
Similarity to MM154812
| Tanimoto metric | 0.8596 |
|---|---|
| Cosine metric | 0.9272 |
| Dice metric | 0.9245 |
| MW: | 116.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+106 more
