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DocumentationIdentifier: MM261680
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM261680 |
| SMILES |
C=CCC(C)CN(C)C=O
|
| InChIKey |
UTXBQESVARUMHF-UHFFFAOYSA-N
|
| MW [Da] |
141.21
Automatically obtained from RDkit software. |
| LogP |
1.29
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM141700
Similarity: 0.7802
Similarity to MM141700
| Tanimoto metric | 0.7802 |
|---|---|
| Cosine metric | 0.8833 |
| Dice metric | 0.8765 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM316995
Similarity: 0.7473
Similarity to MM316995
| Tanimoto metric | 0.7473 |
|---|---|
| Cosine metric | 0.8644 |
| Dice metric | 0.8553 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM326261
Similarity: 0.7172
Similarity to MM326261
| Tanimoto metric | 0.7172 |
|---|---|
| Cosine metric | 0.8374 |
| Dice metric | 0.8353 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+386 more
