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DocumentationIdentifier: MM232590
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM232590 |
| SMILES |
C#CC#CCCC(C)(C)F
|
| InChIKey |
PGRZQPQXZGZUAF-UHFFFAOYSA-N
|
| MW [Da] |
138.19
Automatically obtained from RDkit software. |
| LogP |
2.15
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: 0.8553
Similarity to MM131659
| Tanimoto metric | 0.8553 |
|---|---|
| Cosine metric | 0.9248 |
| Dice metric | 0.922 |
| MW: | 128.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM232563
Similarity: 0.8125
Similarity to MM232563
| Tanimoto metric | 0.8125 |
|---|---|
| Cosine metric | 0.8976 |
| Dice metric | 0.8966 |
| MW: | 142.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM153448
Similarity: 0.7763
Similarity to MM153448
| Tanimoto metric | 0.7763 |
|---|---|
| Cosine metric | 0.8811 |
| Dice metric | 0.8741 |
| MW: | 124.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+584 more
