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DocumentationIdentifier: MM353909
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM353909 |
| SMILES |
C=C(C)C(O)CC#CCC
|
| InChIKey |
PBLMISPMKUKJFU-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
1.73
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM354666
Similarity: 0.9184
Similarity to MM354666
| Tanimoto metric | 0.9184 |
|---|---|
| Cosine metric | 0.9583 |
| Dice metric | 0.9574 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM73730
Similarity: 0.8519
Similarity to MM73730
| Tanimoto metric | 0.8519 |
|---|---|
| Cosine metric | 0.9202 |
| Dice metric | 0.92 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM345406
Similarity: 0.8364
Similarity to MM345406
| Tanimoto metric | 0.8364 |
|---|---|
| Cosine metric | 0.9113 |
| Dice metric | 0.9109 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+559 more
