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DocumentationIdentifier: MM229011
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM229011 |
| SMILES |
CCC(C)(C#N)CC(C)C
|
| InChIKey |
WNGKSWBNINDSQY-UHFFFAOYSA-N
|
| MW [Da] |
139.24
Automatically obtained from RDkit software. |
| LogP |
2.97
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM139323
Similarity: 0.8406
Similarity to MM139323
| Tanimoto metric | 0.8406 |
|---|---|
| Cosine metric | 0.9168 |
| Dice metric | 0.9134 |
| MW: | 125.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM226312
Similarity: 0.7867
Similarity to MM226312
| Tanimoto metric | 0.7867 |
|---|---|
| Cosine metric | 0.881 |
| Dice metric | 0.8806 |
| MW: | 139.24 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.97 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM226111
Similarity: 0.76
Similarity to MM226111
| Tanimoto metric | 0.76 |
|---|---|
| Cosine metric | 0.8645 |
| Dice metric | 0.8636 |
| MW: | 139.24 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.97 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+380 more
