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DocumentationIdentifier: MM252094
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM252094 |
| SMILES |
CC(C)N=CN(C)CC#N
|
| InChIKey |
ZMYGWAKWCJTDSH-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
0.88
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM157809
Similarity: 0.8312
Similarity to MM157809
| Tanimoto metric | 0.8312 |
|---|---|
| Cosine metric | 0.9117 |
| Dice metric | 0.9078 |
| MW: | 125.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM321270
Similarity: 0.75
Similarity to MM321270
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.858 |
| Dice metric | 0.8571 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM281585
Similarity: 0.7416
Similarity to MM281585
| Tanimoto metric | 0.7416 |
|---|---|
| Cosine metric | 0.8516 |
| Dice metric | 0.8516 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+218 more
