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DocumentationIdentifier: MM370579
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM370579 |
| SMILES |
C#CC#CCCC(C)C=O
|
| InChIKey |
KTCXUOAVNWGPRG-UHFFFAOYSA-N
|
| MW [Da] |
134.18
Automatically obtained from RDkit software. |
| LogP |
1.24
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM167664
Similarity: 0.8507
Similarity to MM167664
| Tanimoto metric | 0.8507 |
|---|---|
| Cosine metric | 0.9224 |
| Dice metric | 0.9194 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM370414
Similarity: 0.8261
Similarity to MM370414
| Tanimoto metric | 0.8261 |
|---|---|
| Cosine metric | 0.9066 |
| Dice metric | 0.9048 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM214345
Similarity: 0.7463
Similarity to MM214345
| Tanimoto metric | 0.7463 |
|---|---|
| Cosine metric | 0.8639 |
| Dice metric | 0.8547 |
| MW: | 120.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+540 more
