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DocumentationIdentifier: MM409540
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM409540 |
| SMILES |
N#CC(C#N)CC#CC=O
|
| InChIKey |
WBZZWYNLGQPRJG-UHFFFAOYSA-N
|
| MW [Da] |
132.12
Automatically obtained from RDkit software. |
| LogP |
0.24
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM169161
Similarity: 0.8889
Similarity to MM169161
| Tanimoto metric | 0.8889 |
|---|---|
| Cosine metric | 0.9428 |
| Dice metric | 0.9412 |
| MW: | 121.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM240812
Similarity: 0.7529
Similarity to MM240812
| Tanimoto metric | 0.7529 |
|---|---|
| Cosine metric | 0.8595 |
| Dice metric | 0.8591 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM259591
Similarity: 0.7273
Similarity to MM259591
| Tanimoto metric | 0.7273 |
|---|---|
| Cosine metric | 0.8433 |
| Dice metric | 0.8421 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+50 more
