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DocumentationIdentifier: MM250511
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM250511 |
| SMILES |
CNCC(C)NCC(C)C
|
| InChIKey |
ZGDHMGKDEVKRFA-UHFFFAOYSA-N
|
| MW [Da] |
144.26
Automatically obtained from RDkit software. |
| LogP |
0.84
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM82522
Similarity: 0.8209
Similarity to MM82522
| Tanimoto metric | 0.8209 |
|---|---|
| Cosine metric | 0.906 |
| Dice metric | 0.9016 |
| MW: | 130.24 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM144066
Similarity: 0.8209
Similarity to MM144066
| Tanimoto metric | 0.8209 |
|---|---|
| Cosine metric | 0.906 |
| Dice metric | 0.9016 |
| MW: | 130.24 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM355381
Similarity: 0.7746
Similarity to MM355381
| Tanimoto metric | 0.7746 |
|---|---|
| Cosine metric | 0.8748 |
| Dice metric | 0.873 |
| MW: | 144.26 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+464 more
