Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM131033
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM131033 |
| SMILES |
CC(C)(F)C(C)(O)C#N
|
| InChIKey |
DQSAIGFTGBWQQQ-UHFFFAOYSA-N
|
| MW [Da] |
131.15
Automatically obtained from RDkit software. |
| LogP |
1.01
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM103284
Similarity: 0.719
Similarity to MM103284
| Tanimoto metric | 0.719 |
|---|---|
| Cosine metric | 0.8479 |
| Dice metric | 0.8365 |
| MW: | 117.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM229819
Similarity: 0.716
Similarity to MM229819
| Tanimoto metric | 0.716 |
|---|---|
| Cosine metric | 0.8462 |
| Dice metric | 0.8345 |
| MW: | 149.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM229817
Similarity: 0.6685
Similarity to MM229817
| Tanimoto metric | 0.6685 |
|---|---|
| Cosine metric | 0.8176 |
| Dice metric | 0.8013 |
| MW: | 147.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+291 more
