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DocumentationIdentifier: MM301001
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM301001 |
| SMILES |
CCCOCC(C)C(C)N
|
| InChIKey |
HKVJDGZLMFWXER-UHFFFAOYSA-N
|
| MW [Da] |
145.25
Automatically obtained from RDkit software. |
| LogP |
1.4
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM161978
Similarity: 0.9294
Similarity to MM161978
| Tanimoto metric | 0.9294 |
|---|---|
| Cosine metric | 0.9641 |
| Dice metric | 0.9634 |
| MW: | 131.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM301003
Similarity: 0.798
Similarity to MM301003
| Tanimoto metric | 0.798 |
|---|---|
| Cosine metric | 0.8885 |
| Dice metric | 0.8876 |
| MW: | 147.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM301213
Similarity: 0.7822
Similarity to MM301213
| Tanimoto metric | 0.7822 |
|---|---|
| Cosine metric | 0.8791 |
| Dice metric | 0.8778 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+391 more
