Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM396236
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM396236 |
| SMILES |
CC(=O)C(C#CCF)CO
|
| InChIKey |
KTMRHUKFCHZEGU-UHFFFAOYSA-N
|
| MW [Da] |
144.15
Automatically obtained from RDkit software. |
| LogP |
0.16
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM52380
Similarity: 0.7984
Similarity to MM52380
| Tanimoto metric | 0.7984 |
|---|---|
| Cosine metric | 0.8935 |
| Dice metric | 0.8879 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM163551
Similarity: 0.6694
Similarity to MM163551
| Tanimoto metric | 0.6694 |
|---|---|
| Cosine metric | 0.8181 |
| Dice metric | 0.8019 |
| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM95272
Similarity: 0.6556
Similarity to MM95272
| Tanimoto metric | 0.6556 |
|---|---|
| Cosine metric | 0.792 |
| Dice metric | 0.792 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+138 more
