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DocumentationIdentifier: MM429067
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM429067 |
| SMILES |
CCCC1CN1C(C)C=O
|
| InChIKey |
FRLVLDCFJNTVMK-UHFFFAOYSA-N
|
| MW [Da] |
141.21
Automatically obtained from RDkit software. |
| LogP |
1.06
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM427426
Similarity: 0.8542
Similarity to MM427426
| Tanimoto metric | 0.8542 |
|---|---|
| Cosine metric | 0.9242 |
| Dice metric | 0.9213 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM446085
Similarity: 0.8176
Similarity to MM446085
| Tanimoto metric | 0.8176 |
|---|---|
| Cosine metric | 0.8997 |
| Dice metric | 0.8997 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM426305
Similarity: 0.8092
Similarity to MM426305
| Tanimoto metric | 0.8092 |
|---|---|
| Cosine metric | 0.8955 |
| Dice metric | 0.8945 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+260 more
