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DocumentationIdentifier: MM87748
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM87748 |
| SMILES |
C=C(CN)CCNCC
|
| InChIKey |
NJKXUHDOKHIQNJ-UHFFFAOYSA-N
|
| MW [Da] |
128.22
Automatically obtained from RDkit software. |
| LogP |
0.5
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM88960
Similarity: 0.942
Similarity to MM88960
| Tanimoto metric | 0.942 |
|---|---|
| Cosine metric | 0.9706 |
| Dice metric | 0.9701 |
| MW: | 142.25 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM365008
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Similarity to MM365008
| Tanimoto metric | 0.8904 |
|---|---|
| Cosine metric | 0.9436 |
| Dice metric | 0.942 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM88023
Similarity: 0.8904
Similarity to MM88023
| Tanimoto metric | 0.8904 |
|---|---|
| Cosine metric | 0.9436 |
| Dice metric | 0.942 |
| MW: | 142.25 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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