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DocumentationIdentifier: MM392612
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM392612 |
| SMILES |
COCCN(C=O)C(C)C
|
| InChIKey |
VSQGOYUVXIQHSN-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
MM52178
Similarity: 0.7849
Similarity to MM52178
| Tanimoto metric | 0.7849 |
|---|---|
| Cosine metric | 0.886 |
| Dice metric | 0.8795 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM24543
Similarity: 0.7527
Similarity to MM24543
| Tanimoto metric | 0.7527 |
|---|---|
| Cosine metric | 0.8676 |
| Dice metric | 0.8589 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM76318
Similarity: 0.6033
Similarity to MM76318
| Tanimoto metric | 0.6033 |
|---|---|
| Cosine metric | 0.7532 |
| Dice metric | 0.7526 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+191 more
