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DocumentationIdentifier: MM345485
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM345485 |
| SMILES |
CCC(C)(C)NCC1CC1
|
| InChIKey |
ZUUOCRJYIMKPBK-UHFFFAOYSA-N
|
| MW [Da] |
141.26
Automatically obtained from RDkit software. |
| LogP |
2.17
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM208912
Similarity: 0.8214
Similarity to MM208912
| Tanimoto metric | 0.8214 |
|---|---|
| Cosine metric | 0.9063 |
| Dice metric | 0.902 |
| MW: | 127.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM227804
Similarity: 0.7857
Similarity to MM227804
| Tanimoto metric | 0.7857 |
|---|---|
| Cosine metric | 0.8864 |
| Dice metric | 0.88 |
| MW: | 143.27 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM239347
Similarity: 0.7619
Similarity to MM239347
| Tanimoto metric | 0.7619 |
|---|---|
| Cosine metric | 0.8729 |
| Dice metric | 0.8649 |
| MW: | 143.27 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+479 more
