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DocumentationIdentifier: MM250600
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM250600 |
| SMILES |
C#CCC(O)CCN(C)C
|
| InChIKey |
FTGBFOQEFBPDNT-UHFFFAOYSA-N
|
| MW [Da] |
141.21
Automatically obtained from RDkit software. |
| LogP |
0.32
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM81285
Similarity: 0.8488
Similarity to MM81285
| Tanimoto metric | 0.8488 |
|---|---|
| Cosine metric | 0.9213 |
| Dice metric | 0.9182 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM144094
Similarity: 0.7558
Similarity to MM144094
| Tanimoto metric | 0.7558 |
|---|---|
| Cosine metric | 0.8694 |
| Dice metric | 0.8609 |
| MW: | 131.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM250523
Similarity: 0.7065
Similarity to MM250523
| Tanimoto metric | 0.7065 |
|---|---|
| Cosine metric | 0.8318 |
| Dice metric | 0.828 |
| MW: | 146.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+435 more
