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DocumentationIdentifier: MM287069
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM287069 |
| SMILES |
C=C(C)CNCCOCC
|
| InChIKey |
HKINEAOVTWICNO-UHFFFAOYSA-N
|
| MW [Da] |
143.23
Automatically obtained from RDkit software. |
| LogP |
1.19
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM63720
Similarity: 0.8919
Similarity to MM63720
| Tanimoto metric | 0.8919 |
|---|---|
| Cosine metric | 0.9444 |
| Dice metric | 0.9429 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM58783
Similarity: 0.75
Similarity to MM58783
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.8578 |
| Dice metric | 0.8571 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM371362
Similarity: 0.7333
Similarity to MM371362
| Tanimoto metric | 0.7333 |
|---|---|
| Cosine metric | 0.8473 |
| Dice metric | 0.8462 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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