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DocumentationIdentifier: MM227957
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM227957 |
| SMILES |
CCC(C)(F)CCC(=O)O
|
| InChIKey |
RKNMASXSMLNVDQ-UHFFFAOYSA-N
|
| MW [Da] |
148.18
Automatically obtained from RDkit software. |
| LogP |
1.99
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM130399
Similarity: 0.7611
Similarity to MM130399
| Tanimoto metric | 0.7611 |
|---|---|
| Cosine metric | 0.8724 |
| Dice metric | 0.8643 |
| MW: | 134.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
4-fluorohexanoic Acid
Similarity: 0.708
Similarity to 4-fluorohexanoic Acid
| Tanimoto metric | 0.708 |
|---|---|
| Cosine metric | 0.8414 |
| Dice metric | 0.829 |
| MW: | 134.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM254571
Similarity: 0.6825
Similarity to MM254571
| Tanimoto metric | 0.6825 |
|---|---|
| Cosine metric | 0.8131 |
| Dice metric | 0.8113 |
| MW: | 148.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+197 more
