Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM178400
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM178400 |
| SMILES |
C#CCC(C#N)C#CC
|
| InChIKey |
GQRXRJQXTRGQGJ-UHFFFAOYSA-N
|
| MW [Da] |
117.15
Automatically obtained from RDkit software. |
| LogP |
1.17
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM380139
Similarity: 0.8571
Similarity to MM380139
| Tanimoto metric | 0.8571 |
|---|---|
| Cosine metric | 0.9258 |
| Dice metric | 0.9231 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM380153
Similarity: 0.8471
Similarity to MM380153
| Tanimoto metric | 0.8471 |
|---|---|
| Cosine metric | 0.9204 |
| Dice metric | 0.9172 |
| MW: | 127.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM199729
Similarity: 0.7949
Similarity to MM199729
| Tanimoto metric | 0.7949 |
|---|---|
| Cosine metric | 0.8861 |
| Dice metric | 0.8857 |
| MW: | 117.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+274 more
