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DocumentationIdentifier: MM352887
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM352887 |
| SMILES |
CC=CCC(C)N(C)C=O
|
| InChIKey |
QRDDOYPIRGPBJL-UHFFFAOYSA-N
|
| MW [Da] |
141.21
Automatically obtained from RDkit software. |
| LogP |
1.43
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM172207
Similarity: 0.8218
Similarity to MM172207
| Tanimoto metric | 0.8218 |
|---|---|
| Cosine metric | 0.9065 |
| Dice metric | 0.9022 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM312000
Similarity: 0.7327
Similarity to MM312000
| Tanimoto metric | 0.7327 |
|---|---|
| Cosine metric | 0.856 |
| Dice metric | 0.8457 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM69422
Similarity: 0.6667
Similarity to MM69422
| Tanimoto metric | 0.6667 |
|---|---|
| Cosine metric | 0.8034 |
| Dice metric | 0.8 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+279 more
