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DocumentationIdentifier: MM279263
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM279263 |
| SMILES |
N=C(C=CN)NCCCO
|
| InChIKey |
JXWRRRYIWMUOJH-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
-0.59
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM279262
Similarity: 0.757
Similarity to MM279262
| Tanimoto metric | 0.757 |
|---|---|
| Cosine metric | 0.8619 |
| Dice metric | 0.8617 |
| MW: | 142.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM357620
Similarity: 0.7364
Similarity to MM357620
| Tanimoto metric | 0.7364 |
|---|---|
| Cosine metric | 0.8482 |
| Dice metric | 0.8482 |
| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM279261
Similarity: 0.6875
Similarity to MM279261
| Tanimoto metric | 0.6875 |
|---|---|
| Cosine metric | 0.8149 |
| Dice metric | 0.8148 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+465 more
