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DocumentationIdentifier: MM50677
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM50677 |
| SMILES |
C#CC(C)NC(C)C(C)O
|
| InChIKey |
OSTMOMWORZYTDI-UHFFFAOYSA-N
|
| MW [Da] |
141.21
Automatically obtained from RDkit software. |
| LogP |
0.37
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM162110
Similarity: 0.8037
Similarity to MM162110
| Tanimoto metric | 0.8037 |
|---|---|
| Cosine metric | 0.8965 |
| Dice metric | 0.8912 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM144210
Similarity: 0.7196
Similarity to MM144210
| Tanimoto metric | 0.7196 |
|---|---|
| Cosine metric | 0.8483 |
| Dice metric | 0.837 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM85395
Similarity: 0.7196
Similarity to MM85395
| Tanimoto metric | 0.7196 |
|---|---|
| Cosine metric | 0.8483 |
| Dice metric | 0.837 |
| MW: | 131.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+279 more
