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DocumentationIdentifier: MM56511
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM56511 |
| SMILES |
C#CC(N)C(C)(C)OC
|
| InChIKey |
HURSVCZFHARVIN-UHFFFAOYSA-N
|
| MW [Da] |
127.19
Automatically obtained from RDkit software. |
| LogP |
0.37
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM242642
Similarity: 0.7793
Similarity to MM242642
| Tanimoto metric | 0.7793 |
|---|---|
| Cosine metric | 0.8828 |
| Dice metric | 0.876 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM111642
Similarity: 0.708
Similarity to MM111642
| Tanimoto metric | 0.708 |
|---|---|
| Cosine metric | 0.8414 |
| Dice metric | 0.829 |
| MW: | 113.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM102601
Similarity: 0.6903
Similarity to MM102601
| Tanimoto metric | 0.6903 |
|---|---|
| Cosine metric | 0.8308 |
| Dice metric | 0.8168 |
| MW: | 113.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+432 more
