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DocumentationIdentifier: MM282542
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM282542 |
| SMILES |
CC#CC(=O)C=CCNC
|
| InChIKey |
CSQLOOKTLXSBIM-UHFFFAOYSA-N
|
| MW [Da] |
137.18
Automatically obtained from RDkit software. |
| LogP |
0.35
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM64007
Similarity: 0.8211
Similarity to MM64007
| Tanimoto metric | 0.8211 |
|---|---|
| Cosine metric | 0.9061 |
| Dice metric | 0.9017 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM107771
Similarity: 0.6526
Similarity to MM107771
| Tanimoto metric | 0.6526 |
|---|---|
| Cosine metric | 0.8079 |
| Dice metric | 0.7898 |
| MW: | 108.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM67109
Similarity: 0.624
Similarity to MM67109
| Tanimoto metric | 0.624 |
|---|---|
| Cosine metric | 0.7701 |
| Dice metric | 0.7685 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+384 more
