Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM41603
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM41603 |
| SMILES |
C#CC(C)(O)C(F)C#N
|
| InChIKey |
PGQNWJBIVMIXKO-UHFFFAOYSA-N
|
| MW [Da] |
127.12
Automatically obtained from RDkit software. |
| LogP |
0.23
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM306801
Similarity: 0.8649
Similarity to MM306801
| Tanimoto metric | 0.8649 |
|---|---|
| Cosine metric | 0.93 |
| Dice metric | 0.9275 |
| MW: | 137.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM228893
Similarity: 0.7151
Similarity to MM228893
| Tanimoto metric | 0.7151 |
|---|---|
| Cosine metric | 0.8456 |
| Dice metric | 0.8339 |
| MW: | 145.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM320122
Similarity: 0.7072
Similarity to MM320122
| Tanimoto metric | 0.7072 |
|---|---|
| Cosine metric | 0.8409 |
| Dice metric | 0.8285 |
| MW: | 141.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+187 more
