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DocumentationIdentifier: MM217489
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM217489 |
| SMILES |
CC(CCCO)C1CC1
|
| InChIKey |
GRASOPUDEZBZIY-UHFFFAOYSA-N
|
| MW [Da] |
128.22
Automatically obtained from RDkit software. |
| LogP |
1.81
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM315680
Similarity: 0.8857
Similarity to MM315680
| Tanimoto metric | 0.8857 |
|---|---|
| Cosine metric | 0.9394 |
| Dice metric | 0.9394 |
| MW: | 142.24 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM124650
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Similarity to MM124650
| Tanimoto metric | 0.7606 |
|---|---|
| Cosine metric | 0.8654 |
| Dice metric | 0.864 |
| MW: | 114.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM374035
Similarity: 0.7586
Similarity to MM374035
| Tanimoto metric | 0.7586 |
|---|---|
| Cosine metric | 0.871 |
| Dice metric | 0.8627 |
| MW: | 142.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+440 more
