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DocumentationIdentifier: MM87587
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM87587 |
| SMILES |
CCC(CNC=O)OC=O
|
| InChIKey |
SREVROYIJWWAMJ-UHFFFAOYSA-N
|
| MW [Da] |
145.16
Automatically obtained from RDkit software. |
| LogP |
-0.32
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM67583
Similarity: 0.8091
Similarity to MM67583
| Tanimoto metric | 0.8091 |
|---|---|
| Cosine metric | 0.8995 |
| Dice metric | 0.8945 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM292746
Similarity: 0.6174
Similarity to MM292746
| Tanimoto metric | 0.6174 |
|---|---|
| Cosine metric | 0.7664 |
| Dice metric | 0.7635 |
| MW: | 145.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM115971
Similarity: 0.6
Similarity to MM115971
| Tanimoto metric | 0.6 |
|---|---|
| Cosine metric | 0.7746 |
| Dice metric | 0.75 |
| MW: | 117.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+158 more
