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DocumentationIdentifier: MM371140
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM371140 |
| SMILES |
CCC#CCC=C(C)CO
|
| InChIKey |
IQKSRAKVCPLVDA-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
MM171404
Similarity: 0.9167
Similarity to MM171404
| Tanimoto metric | 0.9167 |
|---|---|
| Cosine metric | 0.9574 |
| Dice metric | 0.9565 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM371142
Similarity: 0.8354
Similarity to MM371142
| Tanimoto metric | 0.8354 |
|---|---|
| Cosine metric | 0.9104 |
| Dice metric | 0.9103 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM371176
Similarity: 0.825
Similarity to MM371176
| Tanimoto metric | 0.825 |
|---|---|
| Cosine metric | 0.9042 |
| Dice metric | 0.9041 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+803 more
