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DocumentationIdentifier: MM68306
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM68306 |
| SMILES |
C#CCC(OC=O)C(C)N
|
| InChIKey |
XHRGGNFFWYJNNK-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
-0.1
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM68825
Similarity: 0.7287
Similarity to MM68825
| Tanimoto metric | 0.7287 |
|---|---|
| Cosine metric | 0.8536 |
| Dice metric | 0.843 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM63833
Similarity: 0.7132
Similarity to MM63833
| Tanimoto metric | 0.7132 |
|---|---|
| Cosine metric | 0.8445 |
| Dice metric | 0.8326 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM231976
Similarity: 0.5663
Similarity to MM231976
| Tanimoto metric | 0.5663 |
|---|---|
| Cosine metric | 0.7231 |
| Dice metric | 0.7231 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+63 more
