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DocumentationIdentifier: MM132613
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM132613 |
| SMILES |
CC(F)C(C)(C)CC#N
|
| InChIKey |
LKCQSOPCMQOGMG-UHFFFAOYSA-N
|
| MW [Da] |
129.18
Automatically obtained from RDkit software. |
| LogP |
2.28
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM137536
Similarity: 0.7473
Similarity to MM137536
| Tanimoto metric | 0.7473 |
|---|---|
| Cosine metric | 0.8555 |
| Dice metric | 0.8553 |
| MW: | 129.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM108100
Similarity: 0.7436
Similarity to MM108100
| Tanimoto metric | 0.7436 |
|---|---|
| Cosine metric | 0.8623 |
| Dice metric | 0.8529 |
| MW: | 115.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM61397
Similarity: 0.6818
Similarity to MM61397
| Tanimoto metric | 0.6818 |
|---|---|
| Cosine metric | 0.812 |
| Dice metric | 0.8108 |
| MW: | 140.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+162 more
