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DocumentationIdentifier: MM57453
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM57453 |
| SMILES |
C=C(F)CC(=O)CC(C)O
|
| InChIKey |
MEVNWVAPMMFGOM-UHFFFAOYSA-N
|
| MW [Da] |
146.16
Automatically obtained from RDkit software. |
| LogP |
1.2
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM262517
Similarity: 0.6621
Similarity to MM262517
| Tanimoto metric | 0.6621 |
|---|---|
| Cosine metric | 0.7975 |
| Dice metric | 0.7967 |
| MW: | 146.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM41097
Similarity: 0.6508
Similarity to MM41097
| Tanimoto metric | 0.6508 |
|---|---|
| Cosine metric | 0.8067 |
| Dice metric | 0.7885 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM236967
Similarity: 0.6466
Similarity to MM236967
| Tanimoto metric | 0.6466 |
|---|---|
| Cosine metric | 0.7945 |
| Dice metric | 0.7854 |
| MW: | 142.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+182 more
