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DocumentationIdentifier: MM431877
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM431877 |
| SMILES |
C#CCC#CC(CC)NC
|
| InChIKey |
AYDXGRKQSLUPQU-UHFFFAOYSA-N
|
| MW [Da] |
135.21
Automatically obtained from RDkit software. |
| LogP |
1.01
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM201176
Similarity: 0.8506
Similarity to MM201176
| Tanimoto metric | 0.8506 |
|---|---|
| Cosine metric | 0.9223 |
| Dice metric | 0.9193 |
| MW: | 125.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM431527
Similarity: 0.7872
Similarity to MM431527
| Tanimoto metric | 0.7872 |
|---|---|
| Cosine metric | 0.8815 |
| Dice metric | 0.881 |
| MW: | 139.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM379880
Similarity: 0.7549
Similarity to MM379880
| Tanimoto metric | 0.7549 |
|---|---|
| Cosine metric | 0.8607 |
| Dice metric | 0.8603 |
| MW: | 135.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+743 more
