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DocumentationIdentifier: MM254643
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM254643 |
| SMILES |
CC(=O)OCC(C)N(C)C
|
| InChIKey |
GOPNTFCRGQUTDA-UHFFFAOYSA-N
|
| MW [Da] |
145.2
Automatically obtained from RDkit software. |
| LogP |
0.5
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM144350
Similarity: 0.8365
Similarity to MM144350
| Tanimoto metric | 0.8365 |
|---|---|
| Cosine metric | 0.9146 |
| Dice metric | 0.911 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM250685
Similarity: 0.7395
Similarity to MM250685
| Tanimoto metric | 0.7395 |
|---|---|
| Cosine metric | 0.8503 |
| Dice metric | 0.8502 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM250798
Similarity: 0.7213
Similarity to MM250798
| Tanimoto metric | 0.7213 |
|---|---|
| Cosine metric | 0.8381 |
| Dice metric | 0.8381 |
| MW: | 145.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+371 more
