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DocumentationIdentifier: MM132607
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM132607 |
| SMILES |
CC(C)C(C)(C)CC#N
|
| InChIKey |
NFFDLENKVNHMPC-UHFFFAOYSA-N
|
| MW [Da] |
125.22
Automatically obtained from RDkit software. |
| LogP |
2.58
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM137527
Similarity: 0.7742
Similarity to MM137527
| Tanimoto metric | 0.7742 |
|---|---|
| Cosine metric | 0.874 |
| Dice metric | 0.8727 |
| MW: | 125.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM132025
Similarity: 0.7586
Similarity to MM132025
| Tanimoto metric | 0.7586 |
|---|---|
| Cosine metric | 0.8629 |
| Dice metric | 0.8627 |
| MW: | 125.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM108095
Similarity: 0.7308
Similarity to MM108095
| Tanimoto metric | 0.7308 |
|---|---|
| Cosine metric | 0.8549 |
| Dice metric | 0.8444 |
| MW: | 111.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+236 more
