Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM53344
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM53344 |
| SMILES |
C#CC(C#C)C(C)C#N
|
| InChIKey |
QLJVBBNKNDLXCL-UHFFFAOYSA-N
|
| MW [Da] |
117.15
Automatically obtained from RDkit software. |
| LogP |
1.03
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM111661
Similarity: 0.8475
Similarity to MM111661
| Tanimoto metric | 0.8475 |
|---|---|
| Cosine metric | 0.9206 |
| Dice metric | 0.9174 |
| MW: | 107.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM15421
Similarity: 0.7826
Similarity to MM15421
| Tanimoto metric | 0.7826 |
|---|---|
| Cosine metric | 0.8788 |
| Dice metric | 0.878 |
| MW: | 117.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM37756
Similarity: 0.7458
Similarity to MM37756
| Tanimoto metric | 0.7458 |
|---|---|
| Cosine metric | 0.8636 |
| Dice metric | 0.8544 |
| MW: | 103.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+371 more
