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DocumentationIdentifier: MM376189
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM376189 |
| SMILES |
C=CC(=O)CC#CCC=O
|
| InChIKey |
KMRKQLMKSSSLAI-UHFFFAOYSA-N
|
| MW [Da] |
136.15
Automatically obtained from RDkit software. |
| LogP |
0.72
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM376155
Similarity: 0.9459
Similarity to MM376155
| Tanimoto metric | 0.9459 |
|---|---|
| Cosine metric | 0.9722 |
| Dice metric | 0.9722 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM169284
Similarity: 0.9444
Similarity to MM169284
| Tanimoto metric | 0.9444 |
|---|---|
| Cosine metric | 0.9718 |
| Dice metric | 0.9714 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM376187
Similarity: 0.8718
Similarity to MM376187
| Tanimoto metric | 0.8718 |
|---|---|
| Cosine metric | 0.9316 |
| Dice metric | 0.9315 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+164 more
