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DocumentationIdentifier: MM369003
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM369003 |
| SMILES |
COC(=O)COC=CCN
|
| InChIKey |
GXUYSJWBCKOWCJ-UHFFFAOYSA-N
|
| MW [Da] |
145.16
Automatically obtained from RDkit software. |
| LogP |
-0.35
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM167454
Similarity: 0.8372
Similarity to MM167454
| Tanimoto metric | 0.8372 |
|---|---|
| Cosine metric | 0.915 |
| Dice metric | 0.9114 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM260560
Similarity: 0.7374
Similarity to MM260560
| Tanimoto metric | 0.7374 |
|---|---|
| Cosine metric | 0.8488 |
| Dice metric | 0.8488 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM369447
Similarity: 0.7347
Similarity to MM369447
| Tanimoto metric | 0.7347 |
|---|---|
| Cosine metric | 0.8471 |
| Dice metric | 0.8471 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+177 more
