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DocumentationIdentifier: MM301428
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM301428 |
| SMILES |
C=C(C)C(C)CNCCC
|
| InChIKey |
HSMAAVSEWYRLBP-UHFFFAOYSA-N
|
| MW [Da] |
141.26
Automatically obtained from RDkit software. |
| LogP |
2.2
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM162153
Similarity: 0.9294
Similarity to MM162153
| Tanimoto metric | 0.9294 |
|---|---|
| Cosine metric | 0.9641 |
| Dice metric | 0.9634 |
| MW: | 127.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM301720
Similarity: 0.8526
Similarity to MM301720
| Tanimoto metric | 0.8526 |
|---|---|
| Cosine metric | 0.921 |
| Dice metric | 0.9205 |
| MW: | 139.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.97 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM89199
Similarity: 0.8144
Similarity to MM89199
| Tanimoto metric | 0.8144 |
|---|---|
| Cosine metric | 0.8982 |
| Dice metric | 0.8977 |
| MW: | 141.26 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 2.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+653 more
