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DocumentationIdentifier: MM221335
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM221335 |
| SMILES |
CC#CC(=N)NC(C)(C)C
|
| InChIKey |
YTSOZPUGTLEGCD-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
1.38
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM130223
Similarity: 0.8132
Similarity to MM130223
| Tanimoto metric | 0.8132 |
|---|---|
| Cosine metric | 0.9018 |
| Dice metric | 0.897 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM80053
Similarity: 0.7647
Similarity to MM80053
| Tanimoto metric | 0.7647 |
|---|---|
| Cosine metric | 0.8667 |
| Dice metric | 0.8667 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM73559
Similarity: 0.7182
Similarity to MM73559
| Tanimoto metric | 0.7182 |
|---|---|
| Cosine metric | 0.8366 |
| Dice metric | 0.836 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+352 more
