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DocumentationIdentifier: MM369380
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM369380 |
| SMILES |
C#CC#CC#CC(=O)CC
|
| InChIKey |
JCONAQZUXCPTPR-UHFFFAOYSA-N
|
| MW [Da] |
130.15
Automatically obtained from RDkit software. |
| LogP |
0.61
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM170875
Similarity: 0.8904
Similarity to MM170875
| Tanimoto metric | 0.8904 |
|---|---|
| Cosine metric | 0.9436 |
| Dice metric | 0.942 |
| MW: | 120.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM369271
Similarity: 0.8667
Similarity to MM369271
| Tanimoto metric | 0.8667 |
|---|---|
| Cosine metric | 0.9294 |
| Dice metric | 0.9286 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM369340
Similarity: 0.8442
Similarity to MM369340
| Tanimoto metric | 0.8442 |
|---|---|
| Cosine metric | 0.9159 |
| Dice metric | 0.9155 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+304 more
