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DocumentationIdentifier: MM221081
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM221081 |
| SMILES |
CCCC(F)CC(C)(C)O
|
| InChIKey |
ADDHKOKPXTYSDN-UHFFFAOYSA-N
|
| MW [Da] |
148.22
Automatically obtained from RDkit software. |
| LogP |
2.29
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM222499
Similarity: 0.7477
Similarity to MM222499
| Tanimoto metric | 0.7477 |
|---|---|
| Cosine metric | 0.8559 |
| Dice metric | 0.8557 |
| MW: | 148.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM225991
Similarity: 0.725
Similarity to MM225991
| Tanimoto metric | 0.725 |
|---|---|
| Cosine metric | 0.8434 |
| Dice metric | 0.8406 |
| MW: | 148.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM221082
Similarity: 0.7217
Similarity to MM221082
| Tanimoto metric | 0.7217 |
|---|---|
| Cosine metric | 0.8391 |
| Dice metric | 0.8384 |
| MW: | 152.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+456 more
