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DocumentationIdentifier: MM295620
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM295620 |
| SMILES |
CCC(=O)C=CCNC=O
|
| InChIKey |
YXWSPJWXZCULFR-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
0.27
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM67914
Similarity: 0.8391
Similarity to MM67914
| Tanimoto metric | 0.8391 |
|---|---|
| Cosine metric | 0.916 |
| Dice metric | 0.9125 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM293159
Similarity: 0.7327
Similarity to MM293159
| Tanimoto metric | 0.7327 |
|---|---|
| Cosine metric | 0.8457 |
| Dice metric | 0.8457 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM64010
Similarity: 0.6697
Similarity to MM64010
| Tanimoto metric | 0.6697 |
|---|---|
| Cosine metric | 0.803 |
| Dice metric | 0.8022 |
| MW: | 145.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+315 more
