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DocumentationIdentifier: MM66144
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM66144 |
| SMILES |
CC(C)OC=CC(O)CN
|
| InChIKey |
NLVUXMIEXHHHDX-UHFFFAOYSA-N
|
| MW [Da] |
145.2
Automatically obtained from RDkit software. |
| LogP |
0.24
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM169441
Similarity: 0.8824
Similarity to MM169441
| Tanimoto metric | 0.8824 |
|---|---|
| Cosine metric | 0.9393 |
| Dice metric | 0.9375 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM66145
Similarity: 0.7895
Similarity to MM66145
| Tanimoto metric | 0.7895 |
|---|---|
| Cosine metric | 0.8824 |
| Dice metric | 0.8824 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM363376
Similarity: 0.7426
Similarity to MM363376
| Tanimoto metric | 0.7426 |
|---|---|
| Cosine metric | 0.8528 |
| Dice metric | 0.8523 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+574 more
