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DocumentationIdentifier: MM262944
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM262944 |
| SMILES |
C#CC(C)CC(=O)CCC
|
| InChIKey |
VWWCIZNHCYJMHZ-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
2.02
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM142440
Similarity: 0.8987
Similarity to MM142440
| Tanimoto metric | 0.8987 |
|---|---|
| Cosine metric | 0.948 |
| Dice metric | 0.9467 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM330792
Similarity: 0.8161
Similarity to MM330792
| Tanimoto metric | 0.8161 |
|---|---|
| Cosine metric | 0.8987 |
| Dice metric | 0.8987 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM263017
Similarity: 0.7978
Similarity to MM263017
| Tanimoto metric | 0.7978 |
|---|---|
| Cosine metric | 0.8876 |
| Dice metric | 0.8875 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+324 more
