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DocumentationIdentifier: MM172877
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM172877 |
| SMILES |
C=C(CCF)C(C)CC
|
| InChIKey |
BKYVKGXVPMXQQA-UHFFFAOYSA-N
|
| MW [Da] |
130.21
Automatically obtained from RDkit software. |
| LogP |
2.95
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM172311
Similarity: 0.7952
Similarity to MM172311
| Tanimoto metric | 0.7952 |
|---|---|
| Cosine metric | 0.8861 |
| Dice metric | 0.8859 |
| MW: | 130.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM408480
Similarity: 0.73
Similarity to MM408480
| Tanimoto metric | 0.73 |
|---|---|
| Cosine metric | 0.8544 |
| Dice metric | 0.8439 |
| MW: | 142.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM292768
Similarity: 0.7228
Similarity to MM292768
| Tanimoto metric | 0.7228 |
|---|---|
| Cosine metric | 0.8502 |
| Dice metric | 0.8391 |
| MW: | 145.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+517 more
