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DocumentationIdentifier: MM301005
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM301005 |
| SMILES |
CCCOCC(C)C(C)O
|
| InChIKey |
RBBFVXLLXUNXMN-UHFFFAOYSA-N
|
| MW [Da] |
146.23
Automatically obtained from RDkit software. |
| LogP |
1.43
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM161979
Similarity: 0.9351
Similarity to MM161979
| Tanimoto metric | 0.9351 |
|---|---|
| Cosine metric | 0.967 |
| Dice metric | 0.9664 |
| MW: | 132.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM301331
Similarity: 0.766
Similarity to MM301331
| Tanimoto metric | 0.766 |
|---|---|
| Cosine metric | 0.8697 |
| Dice metric | 0.8675 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM301215
Similarity: 0.766
Similarity to MM301215
| Tanimoto metric | 0.766 |
|---|---|
| Cosine metric | 0.8697 |
| Dice metric | 0.8675 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+519 more
