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DocumentationIdentifier: MM388050
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM388050 |
| SMILES |
C#CC(C)C(CO)CC=C
|
| InChIKey |
NLKPRHWCXRGHHO-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
1.44
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM358447
Similarity: 0.7593
Similarity to MM358447
| Tanimoto metric | 0.7593 |
|---|---|
| Cosine metric | 0.8632 |
| Dice metric | 0.8632 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM374680
Similarity: 0.7553
Similarity to MM374680
| Tanimoto metric | 0.7553 |
|---|---|
| Cosine metric | 0.8691 |
| Dice metric | 0.8606 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM172274
Similarity: 0.6596
Similarity to MM172274
| Tanimoto metric | 0.6596 |
|---|---|
| Cosine metric | 0.8121 |
| Dice metric | 0.7949 |
| MW: | 122.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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