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DocumentationIdentifier: MM232563
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM232563 |
| SMILES |
CCC#CCCC(C)(C)F
|
| InChIKey |
NJWQSPZRFHZJGZ-UHFFFAOYSA-N
|
| MW [Da] |
142.22
Automatically obtained from RDkit software. |
| LogP |
2.93
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM131659
Similarity: 0.942
Similarity to MM131659
| Tanimoto metric | 0.942 |
|---|---|
| Cosine metric | 0.9706 |
| Dice metric | 0.9701 |
| MW: | 128.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM232590
Similarity: 0.8125
Similarity to MM232590
| Tanimoto metric | 0.8125 |
|---|---|
| Cosine metric | 0.8976 |
| Dice metric | 0.8966 |
| MW: | 138.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM232579
Similarity: 0.7738
Similarity to MM232579
| Tanimoto metric | 0.7738 |
|---|---|
| Cosine metric | 0.8749 |
| Dice metric | 0.8725 |
| MW: | 139.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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