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DocumentationIdentifier: MM104497
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM104497 |
| SMILES |
C=CC(=C)CC(F)F
|
| InChIKey |
DKNYNFXHFMEAES-UHFFFAOYSA-N
|
| MW [Da] |
118.13
Automatically obtained from RDkit software. |
| LogP |
2.38
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM130200
Similarity: 0.8
Similarity to MM130200
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 136.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM135820
Similarity: 0.7568
Similarity to MM135820
| Tanimoto metric | 0.7568 |
|---|---|
| Cosine metric | 0.8699 |
| Dice metric | 0.8615 |
| MW: | 132.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM135821
Similarity: 0.7467
Similarity to MM135821
| Tanimoto metric | 0.7467 |
|---|---|
| Cosine metric | 0.8641 |
| Dice metric | 0.855 |
| MW: | 136.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+466 more
