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DocumentationIdentifier: MM317046
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM317046 |
| SMILES |
C=CC(=C)CCC(F)CF
|
| InChIKey |
NLXRKSDGYBMBRO-UHFFFAOYSA-N
|
| MW [Da] |
146.18
Automatically obtained from RDkit software. |
| LogP |
2.82
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM144254
Similarity: 0.809
Similarity to MM144254
| Tanimoto metric | 0.809 |
|---|---|
| Cosine metric | 0.8994 |
| Dice metric | 0.8944 |
| MW: | 134.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM144719
Similarity: 0.809
Similarity to MM144719
| Tanimoto metric | 0.809 |
|---|---|
| Cosine metric | 0.8994 |
| Dice metric | 0.8944 |
| MW: | 128.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM317034
Similarity: 0.7059
Similarity to MM317034
| Tanimoto metric | 0.7059 |
|---|---|
| Cosine metric | 0.8278 |
| Dice metric | 0.8276 |
| MW: | 142.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+480 more
