Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM44419
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM44419 |
| SMILES |
C#CC(C#C)(C=O)N(C)C
|
| InChIKey |
CHAFETWNULOVNX-UHFFFAOYSA-N
|
| MW [Da] |
135.17
Automatically obtained from RDkit software. |
| LogP |
-0.25
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM46020
Similarity: 0.7857
Similarity to MM46020
| Tanimoto metric | 0.7857 |
|---|---|
| Cosine metric | 0.8864 |
| Dice metric | 0.88 |
| MW: | 121.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM41390
Similarity: 0.7308
Similarity to MM41390
| Tanimoto metric | 0.7308 |
|---|---|
| Cosine metric | 0.8445 |
| Dice metric | 0.8444 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM43096
Similarity: 0.6012
Similarity to MM43096
| Tanimoto metric | 0.6012 |
|---|---|
| Cosine metric | 0.7586 |
| Dice metric | 0.751 |
| MW: | 143.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+37 more
