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DocumentationIdentifier: MM290607
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM290607 |
| SMILES |
C=CC=CC=CC=C(C)F
|
| InChIKey |
ZTRQXWNPNXMPQG-UHFFFAOYSA-N
|
| MW [Da] |
138.19
Automatically obtained from RDkit software. |
| LogP |
3.16
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM155072
Similarity: 0.9583
Similarity to MM155072
| Tanimoto metric | 0.9583 |
|---|---|
| Cosine metric | 0.9789 |
| Dice metric | 0.9787 |
| MW: | 126.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM155073
Similarity: 0.88
Similarity to MM155073
| Tanimoto metric | 0.88 |
|---|---|
| Cosine metric | 0.9364 |
| Dice metric | 0.9362 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM106638
Similarity: 0.875
Similarity to MM106638
| Tanimoto metric | 0.875 |
|---|---|
| Cosine metric | 0.9354 |
| Dice metric | 0.9333 |
| MW: | 112.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+325 more
