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DocumentationIdentifier: MM205150
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM205150 |
| SMILES |
O=CCN1CC1C#CCO
|
| InChIKey |
FRAUCTMYSGKHSF-UHFFFAOYSA-N
|
| MW [Da] |
139.15
Automatically obtained from RDkit software. |
| LogP |
-1.13
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM355491
Similarity: 0.8364
Similarity to MM355491
| Tanimoto metric | 0.8364 |
|---|---|
| Cosine metric | 0.9145 |
| Dice metric | 0.9109 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM204807
Similarity: 0.8061
Similarity to MM204807
| Tanimoto metric | 0.8061 |
|---|---|
| Cosine metric | 0.8978 |
| Dice metric | 0.8926 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM205143
Similarity: 0.7308
Similarity to MM205143
| Tanimoto metric | 0.7308 |
|---|---|
| Cosine metric | 0.8454 |
| Dice metric | 0.8444 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+126 more
