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DocumentationIdentifier: MM93978
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM93978 |
| SMILES |
C=CCNC=NCCCO
|
| InChIKey |
FLIJLIHHKOPYTC-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
0.17
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM214820
Similarity: 0.8333
Similarity to MM214820
| Tanimoto metric | 0.8333 |
|---|---|
| Cosine metric | 0.9129 |
| Dice metric | 0.9091 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM451774
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| Tanimoto metric | 0.7237 |
|---|---|
| Cosine metric | 0.8397 |
| Dice metric | 0.8397 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM451384
Similarity: 0.6962
Similarity to MM451384
| Tanimoto metric | 0.6962 |
|---|---|
| Cosine metric | 0.821 |
| Dice metric | 0.8209 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+361 more
