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DocumentationIdentifier: MM88960
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM88960 |
| SMILES |
C=C(CN)CCNCCC
|
| InChIKey |
ROLJJDDBXRHFIZ-UHFFFAOYSA-N
|
| MW [Da] |
142.25
Automatically obtained from RDkit software. |
| LogP |
0.89
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM87748
Similarity: 0.942
Similarity to MM87748
| Tanimoto metric | 0.942 |
|---|---|
| Cosine metric | 0.9706 |
| Dice metric | 0.9701 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM365008
Similarity: 0.8933
Similarity to MM365008
| Tanimoto metric | 0.8933 |
|---|---|
| Cosine metric | 0.944 |
| Dice metric | 0.9437 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM88023
Similarity: 0.8442
Similarity to MM88023
| Tanimoto metric | 0.8442 |
|---|---|
| Cosine metric | 0.9159 |
| Dice metric | 0.9155 |
| MW: | 142.25 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+735 more
