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DocumentationIdentifier: MM252643
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM252643 |
| SMILES |
CC(C)C#CC(C)CC#N
|
| InChIKey |
CYHUHEKSHCWTKI-UHFFFAOYSA-N
|
| MW [Da] |
135.21
Automatically obtained from RDkit software. |
| LogP |
2.2
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM282660
Similarity: 0.9375
Similarity to MM282660
| Tanimoto metric | 0.9375 |
|---|---|
| Cosine metric | 0.9677 |
| Dice metric | 0.9677 |
| MW: | 135.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM158373
Similarity: 0.9355
Similarity to MM158373
| Tanimoto metric | 0.9355 |
|---|---|
| Cosine metric | 0.9672 |
| Dice metric | 0.9667 |
| MW: | 121.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM15493
Similarity: 0.8529
Similarity to MM15493
| Tanimoto metric | 0.8529 |
|---|---|
| Cosine metric | 0.9208 |
| Dice metric | 0.9206 |
| MW: | 132.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+515 more
