Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM44316
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM44316 |
| SMILES |
C#CC(CC#N)NCCF
|
| InChIKey |
MBYKJRZGVKMGAP-UHFFFAOYSA-N
|
| MW [Da] |
140.16
Automatically obtained from RDkit software. |
| LogP |
0.46
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM44943
Similarity: 0.7241
Similarity to MM44943
| Tanimoto metric | 0.7241 |
|---|---|
| Cosine metric | 0.8411 |
| Dice metric | 0.84 |
| MW: | 132.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM46574
Similarity: 0.672
Similarity to MM46574
| Tanimoto metric | 0.672 |
|---|---|
| Cosine metric | 0.8038 |
| Dice metric | 0.8038 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM51416
Similarity: 0.6614
Similarity to MM51416
| Tanimoto metric | 0.6614 |
|---|---|
| Cosine metric | 0.7962 |
| Dice metric | 0.7962 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+49 more
