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DocumentationIdentifier: MM272333
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM272333 |
| SMILES |
C=C(C)CC(CN)OC=O
|
| InChIKey |
RINARUPNXIDXKV-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
0.45
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM63996
Similarity: 0.7008
Similarity to MM63996
| Tanimoto metric | 0.7008 |
|---|---|
| Cosine metric | 0.8371 |
| Dice metric | 0.8241 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM72651
Similarity: 0.6712
Similarity to MM72651
| Tanimoto metric | 0.6712 |
|---|---|
| Cosine metric | 0.804 |
| Dice metric | 0.8033 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM388000
Similarity: 0.6138
Similarity to MM388000
| Tanimoto metric | 0.6138 |
|---|---|
| Cosine metric | 0.7635 |
| Dice metric | 0.7607 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+82 more
