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DocumentationIdentifier: MM274018
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM274018 |
| SMILES |
CCCC(C=O)C=C(F)F
|
| InChIKey |
AMQLYEOPCXMNJQ-UHFFFAOYSA-N
|
| MW [Da] |
148.15
Automatically obtained from RDkit software. |
| LogP |
2.38
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM178217
Similarity: 0.8125
Similarity to MM178217
| Tanimoto metric | 0.8125 |
|---|---|
| Cosine metric | 0.9014 |
| Dice metric | 0.8966 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM150653
Similarity: 0.8021
Similarity to MM150653
| Tanimoto metric | 0.8021 |
|---|---|
| Cosine metric | 0.8956 |
| Dice metric | 0.8902 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM272700
Similarity: 0.729
Similarity to MM272700
| Tanimoto metric | 0.729 |
|---|---|
| Cosine metric | 0.8438 |
| Dice metric | 0.8432 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+428 more
