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DocumentationIdentifier: MM83836
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM83836 |
| SMILES |
CC(N)CCCO
|
| InChIKey |
JAXJUENAJXWFBX-UHFFFAOYSA-N
|
| MW [Da] |
103.17
Automatically obtained from RDkit software. |
| LogP |
0.11
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM112519
Similarity: 0.7447
Similarity to MM112519
| Tanimoto metric | 0.7447 |
|---|---|
| Cosine metric | 0.8629 |
| Dice metric | 0.8537 |
| MW: | 119.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM75409
Similarity: 0.7209
Similarity to MM75409
| Tanimoto metric | 0.7209 |
|---|---|
| Cosine metric | 0.8391 |
| Dice metric | 0.8378 |
| MW: | 103.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM112517
Similarity: 0.7143
Similarity to MM112517
| Tanimoto metric | 0.7143 |
|---|---|
| Cosine metric | 0.8452 |
| Dice metric | 0.8333 |
| MW: | 118.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+655 more
