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DocumentationIdentifier: MM238985
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM238985 |
| SMILES |
CNC(CO)C(C)(C)C=O
|
| InChIKey |
SOCOKZXCICIHHD-UHFFFAOYSA-N
|
| MW [Da] |
145.2
Automatically obtained from RDkit software. |
| LogP |
-0.21
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM137635
Similarity: 0.6935
Similarity to MM137635
| Tanimoto metric | 0.6935 |
|---|---|
| Cosine metric | 0.8328 |
| Dice metric | 0.819 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.82 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM61457
Similarity: 0.634
Similarity to MM61457
| Tanimoto metric | 0.634 |
|---|---|
| Cosine metric | 0.776 |
| Dice metric | 0.776 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM82129
Similarity: 0.6129
Similarity to MM82129
| Tanimoto metric | 0.6129 |
|---|---|
| Cosine metric | 0.7829 |
| Dice metric | 0.76 |
| MW: | 131.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+153 more
