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DocumentationIdentifier: MM353178
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM353178 |
| SMILES |
C#CCC(CO)CC#CC
|
| InChIKey |
FFCCMLNWUOOFQR-UHFFFAOYSA-N
|
| MW [Da] |
136.19
Automatically obtained from RDkit software. |
| LogP |
1.03
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM365012
Similarity: 0.913
Similarity to MM365012
| Tanimoto metric | 0.913 |
|---|---|
| Cosine metric | 0.9555 |
| Dice metric | 0.9545 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM363858
Similarity: 0.863
Similarity to MM363858
| Tanimoto metric | 0.863 |
|---|---|
| Cosine metric | 0.9266 |
| Dice metric | 0.9265 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM354093
Similarity: 0.8125
Similarity to MM354093
| Tanimoto metric | 0.8125 |
|---|---|
| Cosine metric | 0.8976 |
| Dice metric | 0.8966 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+679 more
