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DocumentationIdentifier: MM408998
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM408998 |
| SMILES |
C#CC#CCC(C=O)CC
|
| InChIKey |
XVPYPNXKVUYWKP-UHFFFAOYSA-N
|
| MW [Da] |
134.18
Automatically obtained from RDkit software. |
| LogP |
1.24
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM199705
Similarity: 0.8205
Similarity to MM199705
| Tanimoto metric | 0.8205 |
|---|---|
| Cosine metric | 0.9058 |
| Dice metric | 0.9014 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM305391
Similarity: 0.7872
Similarity to MM305391
| Tanimoto metric | 0.7872 |
|---|---|
| Cosine metric | 0.8832 |
| Dice metric | 0.881 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM408550
Similarity: 0.7711
Similarity to MM408550
| Tanimoto metric | 0.7711 |
|---|---|
| Cosine metric | 0.8724 |
| Dice metric | 0.8707 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+323 more
