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DocumentationIdentifier: MM233185
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM233185 |
| SMILES |
CC(C)(OC=O)C(N)CN
|
| InChIKey |
JSJMWAZKVCMOKN-UHFFFAOYSA-N
|
| MW [Da] |
146.19
Automatically obtained from RDkit software. |
| LogP |
-0.78
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM69935
Similarity: 0.7305
Similarity to MM69935
| Tanimoto metric | 0.7305 |
|---|---|
| Cosine metric | 0.8547 |
| Dice metric | 0.8443 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM171985
Similarity: 0.7163
Similarity to MM171985
| Tanimoto metric | 0.7163 |
|---|---|
| Cosine metric | 0.8464 |
| Dice metric | 0.8347 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM233184
Similarity: 0.6105
Similarity to MM233184
| Tanimoto metric | 0.6105 |
|---|---|
| Cosine metric | 0.7582 |
| Dice metric | 0.7581 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+111 more
