Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM78457
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM78457 |
| SMILES |
C=CC#CC(CCN)NC
|
| InChIKey |
WHEKKGWESDNLMC-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
0.11
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM201208
Similarity: 0.8
Similarity to MM201208
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM178346
Similarity: 0.781
Similarity to MM178346
| Tanimoto metric | 0.781 |
|---|---|
| Cosine metric | 0.8837 |
| Dice metric | 0.877 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM83304
Similarity: 0.7105
Similarity to MM83304
| Tanimoto metric | 0.7105 |
|---|---|
| Cosine metric | 0.8332 |
| Dice metric | 0.8308 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+521 more
