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DocumentationIdentifier: MM388634
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM388634 |
| SMILES |
CCCCCC(C)(C)CO
|
| InChIKey |
WENIXZFPXMQPQQ-UHFFFAOYSA-N
|
| MW [Da] |
144.26
Automatically obtained from RDkit software. |
| LogP |
2.59
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM388337
Similarity: 0.8966
Similarity to MM388337
| Tanimoto metric | 0.8966 |
|---|---|
| Cosine metric | 0.9469 |
| Dice metric | 0.9455 |
| MW: | 130.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM388467
Similarity: 0.8387
Similarity to MM388467
| Tanimoto metric | 0.8387 |
|---|---|
| Cosine metric | 0.9124 |
| Dice metric | 0.9123 |
| MW: | 144.26 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM312882
Similarity: 0.8387
Similarity to MM312882
| Tanimoto metric | 0.8387 |
|---|---|
| Cosine metric | 0.9124 |
| Dice metric | 0.9123 |
| MW: | 146.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+554 more
