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DocumentationIdentifier: MM65828
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM65828 |
| SMILES |
C#CCC(O)C=C(C)CO
|
| InChIKey |
RFYNJWDGZGVGIO-UHFFFAOYSA-N
|
| MW [Da] |
140.18
Automatically obtained from RDkit software. |
| LogP |
0.31
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM46674
Similarity: 0.7228
Similarity to MM46674
| Tanimoto metric | 0.7228 |
|---|---|
| Cosine metric | 0.8502 |
| Dice metric | 0.8391 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM72335
Similarity: 0.6794
Similarity to MM72335
| Tanimoto metric | 0.6794 |
|---|---|
| Cosine metric | 0.8118 |
| Dice metric | 0.8091 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM266358
Similarity: 0.6696
Similarity to MM266358
| Tanimoto metric | 0.6696 |
|---|---|
| Cosine metric | 0.8032 |
| Dice metric | 0.8021 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+549 more
