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DocumentationIdentifier: MM132110
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM132110 |
| SMILES |
C=C(OCC)C(C)(C)N
|
| InChIKey |
XMSISMITVHEBAX-UHFFFAOYSA-N
|
| MW [Da] |
129.2
Automatically obtained from RDkit software. |
| LogP |
1.27
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM231379
Similarity: 0.8632
Similarity to MM231379
| Tanimoto metric | 0.8632 |
|---|---|
| Cosine metric | 0.9291 |
| Dice metric | 0.9266 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM60989
Similarity: 0.8347
Similarity to MM60989
| Tanimoto metric | 0.8347 |
|---|---|
| Cosine metric | 0.9136 |
| Dice metric | 0.9099 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM231422
Similarity: 0.8211
Similarity to MM231422
| Tanimoto metric | 0.8211 |
|---|---|
| Cosine metric | 0.9062 |
| Dice metric | 0.9018 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+509 more
