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DocumentationIdentifier: MM83104
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM83104 |
| SMILES |
CCCC(N)CCO
|
| InChIKey |
YZOKDOZIDBMHOK-UHFFFAOYSA-N
|
| MW [Da] |
117.19
Automatically obtained from RDkit software. |
| LogP |
0.5
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM83394
Similarity: 0.7447
Similarity to MM83394
| Tanimoto metric | 0.7447 |
|---|---|
| Cosine metric | 0.8629 |
| Dice metric | 0.8537 |
| MW: | 103.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM155645
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Similarity to MM155645
| Tanimoto metric | 0.7344 |
|---|---|
| Cosine metric | 0.857 |
| Dice metric | 0.8468 |
| MW: | 131.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM155623
Similarity: 0.7193
Similarity to MM155623
| Tanimoto metric | 0.7193 |
|---|---|
| Cosine metric | 0.8374 |
| Dice metric | 0.8367 |
| MW: | 131.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+574 more
