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DocumentationIdentifier: MM229051
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM229051 |
| SMILES |
C=CC(O)(CN)CC(C)C
|
| InChIKey |
GHKUGGHIZRGGCQ-UHFFFAOYSA-N
|
| MW [Da] |
143.23
Automatically obtained from RDkit software. |
| LogP |
0.91
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM67888
Similarity: 0.8512
Similarity to MM67888
| Tanimoto metric | 0.8512 |
|---|---|
| Cosine metric | 0.9226 |
| Dice metric | 0.9196 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM308377
Similarity: 0.7664
Similarity to MM308377
| Tanimoto metric | 0.7664 |
|---|---|
| Cosine metric | 0.8678 |
| Dice metric | 0.8678 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM308634
Similarity: 0.7536
Similarity to MM308634
| Tanimoto metric | 0.7536 |
|---|---|
| Cosine metric | 0.8595 |
| Dice metric | 0.8595 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+463 more
