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DocumentationIdentifier: MM128061
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM128061 |
| SMILES |
CC#CC1CN1CC
|
| InChIKey |
QKXMEHNNMZHOFZ-UHFFFAOYSA-N
|
| MW [Da] |
109.17
Automatically obtained from RDkit software. |
| LogP |
0.71
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM217306
Similarity: 0.8983
Similarity to MM217306
| Tanimoto metric | 0.8983 |
|---|---|
| Cosine metric | 0.9478 |
| Dice metric | 0.9464 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM194961
Similarity: 0.8689
Similarity to MM194961
| Tanimoto metric | 0.8689 |
|---|---|
| Cosine metric | 0.9321 |
| Dice metric | 0.9298 |
| MW: | 119.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM194938
Similarity: 0.8618
Similarity to MM194938
| Tanimoto metric | 0.8618 |
|---|---|
| Cosine metric | 0.9283 |
| Dice metric | 0.9258 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+411 more
