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DocumentationIdentifier: MM349993
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM349993 |
| SMILES |
C#CC(=O)N(C)CCC#N
|
| InChIKey |
FUDRNSFGWQBOSP-UHFFFAOYSA-N
|
| MW [Da] |
136.15
Automatically obtained from RDkit software. |
| LogP |
-0.01
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM24057
Similarity: 0.7119
Similarity to MM24057
| Tanimoto metric | 0.7119 |
|---|---|
| Cosine metric | 0.8437 |
| Dice metric | 0.8317 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM350009
Similarity: 0.7068
Similarity to MM350009
| Tanimoto metric | 0.7068 |
|---|---|
| Cosine metric | 0.8288 |
| Dice metric | 0.8282 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM74876
Similarity: 0.6963
Similarity to MM74876
| Tanimoto metric | 0.6963 |
|---|---|
| Cosine metric | 0.8213 |
| Dice metric | 0.821 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+222 more
