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DocumentationIdentifier: MM305669
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM305669 |
| SMILES |
CCCC(C=CF)C(=N)N
|
| InChIKey |
XICKJRSBCAETRI-UHFFFAOYSA-N
|
| MW [Da] |
144.19
Automatically obtained from RDkit software. |
| LogP |
1.82
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM180149
Similarity: 0.8015
Similarity to MM180149
| Tanimoto metric | 0.8015 |
|---|---|
| Cosine metric | 0.8953 |
| Dice metric | 0.8898 |
| MW: | 130.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM179938
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| Tanimoto metric | 0.7405 |
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| Cosine metric | 0.8605 |
| Dice metric | 0.8509 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.52 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM305758
Similarity: 0.6863
Similarity to MM305758
| Tanimoto metric | 0.6863 |
|---|---|
| Cosine metric | 0.8141 |
| Dice metric | 0.814 |
| MW: | 142.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+193 more
