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DocumentationIdentifier: MM61706
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM61706 |
| SMILES |
COC(C)(CC#N)C(C)O
|
| InChIKey |
YBXJTUIXGMXZIV-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
0.69
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM77932
Similarity: 0.7823
Similarity to MM77932
| Tanimoto metric | 0.7823 |
|---|---|
| Cosine metric | 0.881 |
| Dice metric | 0.8779 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM40461
Similarity: 0.6972
Similarity to MM40461
| Tanimoto metric | 0.6972 |
|---|---|
| Cosine metric | 0.835 |
| Dice metric | 0.8216 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM42181
Similarity: 0.669
Similarity to MM42181
| Tanimoto metric | 0.669 |
|---|---|
| Cosine metric | 0.8179 |
| Dice metric | 0.8017 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+219 more
