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DocumentationIdentifier: MM231171
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM231171 |
| SMILES |
CC(C)(C)CC1(CN)CN1
|
| InChIKey |
BLXKEIQBMAJOLV-UHFFFAOYSA-N
|
| MW [Da] |
142.25
Automatically obtained from RDkit software. |
| LogP |
0.72
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM151469
Similarity: 0.8815
Similarity to MM151469
| Tanimoto metric | 0.8815 |
|---|---|
| Cosine metric | 0.9389 |
| Dice metric | 0.937 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM340769
Similarity: 0.758
Similarity to MM340769
| Tanimoto metric | 0.758 |
|---|---|
| Cosine metric | 0.8625 |
| Dice metric | 0.8623 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM117461
Similarity: 0.7481
Similarity to MM117461
| Tanimoto metric | 0.7481 |
|---|---|
| Cosine metric | 0.865 |
| Dice metric | 0.8559 |
| MW: | 114.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+245 more
