Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM94279
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM94279 |
| SMILES |
C#CC(F)C(C#N)NC=O
|
| InChIKey |
NTJHPZGSSIWAAN-UHFFFAOYSA-N
|
| MW [Da] |
140.12
Automatically obtained from RDkit software. |
| LogP |
-0.4
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM52186
Similarity: 0.7255
Similarity to MM52186
| Tanimoto metric | 0.7255 |
|---|---|
| Cosine metric | 0.8518 |
| Dice metric | 0.8409 |
| MW: | 130.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM172290
Similarity: 0.6993
Similarity to MM172290
| Tanimoto metric | 0.6993 |
|---|---|
| Cosine metric | 0.8363 |
| Dice metric | 0.8231 |
| MW: | 129.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM376826
Similarity: 0.6154
Similarity to MM376826
| Tanimoto metric | 0.6154 |
|---|---|
| Cosine metric | 0.7625 |
| Dice metric | 0.7619 |
| MW: | 141.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+44 more
