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DocumentationIdentifier: MM378562
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM378562 |
| SMILES |
C=C(C#N)C(C#N)CCF
|
| InChIKey |
FUIHTYRLJJRXBQ-UHFFFAOYSA-N
|
| MW [Da] |
138.15
Automatically obtained from RDkit software. |
| LogP |
1.57
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM52276
Similarity: 0.7603
Similarity to MM52276
| Tanimoto metric | 0.7603 |
|---|---|
| Cosine metric | 0.872 |
| Dice metric | 0.8638 |
| MW: | 127.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 2.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM172688
Similarity: 0.7355
Similarity to MM172688
| Tanimoto metric | 0.7355 |
|---|---|
| Cosine metric | 0.8576 |
| Dice metric | 0.8476 |
| MW: | 127.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM378664
Similarity: 0.6324
Similarity to MM378664
| Tanimoto metric | 0.6324 |
|---|---|
| Cosine metric | 0.7779 |
| Dice metric | 0.7748 |
| MW: | 131.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+85 more
