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DocumentationIdentifier: MM130996
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM130996 |
| SMILES |
CCC(C)(F)C(C)(C)O
|
| InChIKey |
AIOKCISLZKBCNA-UHFFFAOYSA-N
|
| MW [Da] |
134.19
Automatically obtained from RDkit software. |
| LogP |
1.9
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM222803
Similarity: 0.8346
Similarity to MM222803
| Tanimoto metric | 0.8346 |
|---|---|
| Cosine metric | 0.9136 |
| Dice metric | 0.9099 |
| MW: | 148.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM222359
Similarity: 0.7518
Similarity to MM222359
| Tanimoto metric | 0.7518 |
|---|---|
| Cosine metric | 0.867 |
| Dice metric | 0.8583 |
| MW: | 148.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM132893
Similarity: 0.7479
Similarity to MM132893
| Tanimoto metric | 0.7479 |
|---|---|
| Cosine metric | 0.8559 |
| Dice metric | 0.8558 |
| MW: | 134.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+385 more
