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DocumentationIdentifier: MM92958
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM92958 |
| SMILES |
CNC(C)CCOCCO
|
| InChIKey |
RVUPJGDFBTVYHK-UHFFFAOYSA-N
|
| MW [Da] |
147.22
Automatically obtained from RDkit software. |
| LogP |
-0.01
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM165531
Similarity: 0.8608
Similarity to MM165531
| Tanimoto metric | 0.8608 |
|---|---|
| Cosine metric | 0.9278 |
| Dice metric | 0.9252 |
| MW: | 131.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM95195
Similarity: 0.764
Similarity to MM95195
| Tanimoto metric | 0.764 |
|---|---|
| Cosine metric | 0.8663 |
| Dice metric | 0.8662 |
| MW: | 146.23 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM291181
Similarity: 0.7391
Similarity to MM291181
| Tanimoto metric | 0.7391 |
|---|---|
| Cosine metric | 0.8501 |
| Dice metric | 0.85 |
| MW: | 145.25 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+382 more
