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DocumentationIdentifier: MM198563
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM198563 |
| SMILES |
CCCNC(CC)CC
|
| InChIKey |
QLEKHMZVJVKWQZ-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
MM325920
Similarity: 0.94
Similarity to MM325920
| Tanimoto metric | 0.94 |
|---|---|
| Cosine metric | 0.9695 |
| Dice metric | 0.9691 |
| MW: | 143.27 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM115930
Similarity: 0.8723
Similarity to MM115930
| Tanimoto metric | 0.8723 |
|---|---|
| Cosine metric | 0.934 |
| Dice metric | 0.9318 |
| MW: | 115.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM149700
Similarity: 0.86
Similarity to MM149700
| Tanimoto metric | 0.86 |
|---|---|
| Cosine metric | 0.9248 |
| Dice metric | 0.9247 |
| MW: | 129.25 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+739 more
