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DocumentationIdentifier: MM294072
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM294072 |
| SMILES |
CC(=O)C(C)C#CCC=O
|
| InChIKey |
VGDPVTCFBSIAOA-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
0.8
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM163550
Similarity: 0.925
Similarity to MM163550
| Tanimoto metric | 0.925 |
|---|---|
| Cosine metric | 0.9618 |
| Dice metric | 0.961 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM293960
Similarity: 0.9048
Similarity to MM293960
| Tanimoto metric | 0.9048 |
|---|---|
| Cosine metric | 0.95 |
| Dice metric | 0.95 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM255716
Similarity: 0.9048
Similarity to MM255716
| Tanimoto metric | 0.9048 |
|---|---|
| Cosine metric | 0.95 |
| Dice metric | 0.95 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+426 more
