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DocumentationIdentifier: MM138161
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM138161 |
| SMILES |
CCCNC(C)(C)CC
|
| InChIKey |
OPWOLGWUQOXZSS-UHFFFAOYSA-N
|
| MW [Da] |
129.25
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
MM226083
Similarity: 0.918
Similarity to MM226083
| Tanimoto metric | 0.918 |
|---|---|
| Cosine metric | 0.9581 |
| Dice metric | 0.9573 |
| MW: | 143.27 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM239347
Similarity: 0.875
Similarity to MM239347
| Tanimoto metric | 0.875 |
|---|---|
| Cosine metric | 0.9354 |
| Dice metric | 0.9333 |
| MW: | 143.27 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM102979
Similarity: 0.8571
Similarity to MM102979
| Tanimoto metric | 0.8571 |
|---|---|
| Cosine metric | 0.9258 |
| Dice metric | 0.9231 |
| MW: | 115.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+657 more
