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DocumentationIdentifier: MM352195
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM352195 |
| SMILES |
C#CCOC(=C)C(=C)CC
|
| InChIKey |
CVXNUHGURYUBTO-UHFFFAOYSA-N
|
| MW [Da] |
136.19
Automatically obtained from RDkit software. |
| LogP |
2.12
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM173653
Similarity: 0.8049
Similarity to MM173653
| Tanimoto metric | 0.8049 |
|---|---|
| Cosine metric | 0.8971 |
| Dice metric | 0.8919 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM351832
Similarity: 0.75
Similarity to MM351832
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.859 |
| Dice metric | 0.8571 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM294099
Similarity: 0.7095
Similarity to MM294099
| Tanimoto metric | 0.7095 |
|---|---|
| Cosine metric | 0.8304 |
| Dice metric | 0.83 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+126 more
