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DocumentationIdentifier: MM319155
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM319155 |
| SMILES |
C=NOCC=CCCO
|
| InChIKey |
GGFJAXUXGXPNNE-UHFFFAOYSA-N
|
| MW [Da] |
129.16
Automatically obtained from RDkit software. |
| LogP |
0.56
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM126158
Similarity: 0.8596
Similarity to MM126158
| Tanimoto metric | 0.8596 |
|---|---|
| Cosine metric | 0.9272 |
| Dice metric | 0.9245 |
| MW: | 113.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM215006
Similarity: 0.7538
Similarity to MM215006
| Tanimoto metric | 0.7538 |
|---|---|
| Cosine metric | 0.8596 |
| Dice metric | 0.8596 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM214936
Similarity: 0.7424
Similarity to MM214936
| Tanimoto metric | 0.7424 |
|---|---|
| Cosine metric | 0.8522 |
| Dice metric | 0.8522 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.97 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+672 more
