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DocumentationIdentifier: MM221953
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM221953 |
| SMILES |
CC#CC(C)(C)CC(=N)N
|
| InChIKey |
JSKBHHSESDCQLE-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
1.36
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM237692
Similarity: 0.7155
Similarity to MM237692
| Tanimoto metric | 0.7155 |
|---|---|
| Cosine metric | 0.8354 |
| Dice metric | 0.8342 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM229574
Similarity: 0.6923
Similarity to MM229574
| Tanimoto metric | 0.6923 |
|---|---|
| Cosine metric | 0.8197 |
| Dice metric | 0.8182 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM237713
Similarity: 0.6694
Similarity to MM237713
| Tanimoto metric | 0.6694 |
|---|---|
| Cosine metric | 0.802 |
| Dice metric | 0.8019 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+259 more
