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DocumentationIdentifier: MM204807
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM204807 |
| SMILES |
CCN1CC1C#CCO
|
| InChIKey |
HLQJGHUZEGQLCD-UHFFFAOYSA-N
|
| MW [Da] |
125.17
Automatically obtained from RDkit software. |
| LogP |
-0.31
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM205143
Similarity: 0.8867
Similarity to MM205143
| Tanimoto metric | 0.8867 |
|---|---|
| Cosine metric | 0.9416 |
| Dice metric | 0.9399 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM205150
Similarity: 0.8061
Similarity to MM205150
| Tanimoto metric | 0.8061 |
|---|---|
| Cosine metric | 0.8978 |
| Dice metric | 0.8926 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM128061
Similarity: 0.797
Similarity to MM128061
| Tanimoto metric | 0.797 |
|---|---|
| Cosine metric | 0.8927 |
| Dice metric | 0.887 |
| MW: | 109.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+429 more
