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DocumentationIdentifier: MM388337
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM388337 |
| SMILES |
CCCCC(C)(C)CO
|
| InChIKey |
GSSDZVRLQDXOPL-UHFFFAOYSA-N
|
| MW [Da] |
130.23
Automatically obtained from RDkit software. |
| LogP |
2.2
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM388467
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| Tanimoto metric | 0.9286 |
|---|---|
| Cosine metric | 0.9636 |
| Dice metric | 0.963 |
| MW: | 144.26 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM312882
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| Tanimoto metric | 0.9286 |
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| Cosine metric | 0.9636 |
| Dice metric | 0.963 |
| MW: | 146.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.17 |
||||
|---|---|---|---|---|---|
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Total active interactions
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MM388634
Similarity: 0.8966
Similarity to MM388634
| Tanimoto metric | 0.8966 |
|---|---|
| Cosine metric | 0.9469 |
| Dice metric | 0.9455 |
| MW: | 144.26 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+565 more
