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DocumentationIdentifier: MM106533
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM106533 |
| SMILES |
CCNCC=C(F)F
|
| InChIKey |
IZXHWELLPHAPJU-UHFFFAOYSA-N
|
| MW [Da] |
121.13
Automatically obtained from RDkit software. |
| LogP |
1.38
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM57162
Similarity: 0.8409
Similarity to MM57162
| Tanimoto metric | 0.8409 |
|---|---|
| Cosine metric | 0.917 |
| Dice metric | 0.9136 |
| MW: | 107.1 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM133378
Similarity: 0.8148
Similarity to MM133378
| Tanimoto metric | 0.8148 |
|---|---|
| Cosine metric | 0.9027 |
| Dice metric | 0.898 |
| MW: | 135.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM154830
Similarity: 0.7857
Similarity to MM154830
| Tanimoto metric | 0.7857 |
|---|---|
| Cosine metric | 0.8864 |
| Dice metric | 0.88 |
| MW: | 135.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+445 more
