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DocumentationIdentifier: MM272004
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM272004 |
| SMILES |
C=CCC(CF)CC(F)F
|
| InChIKey |
OEZHXNUAEVRZLV-UHFFFAOYSA-N
|
| MW [Da] |
152.16
Automatically obtained from RDkit software. |
| LogP |
2.8
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM177807
Similarity: 0.759
Similarity to MM177807
| Tanimoto metric | 0.759 |
|---|---|
| Cosine metric | 0.8712 |
| Dice metric | 0.863 |
| MW: | 134.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM272117
Similarity: 0.6869
Similarity to MM272117
| Tanimoto metric | 0.6869 |
|---|---|
| Cosine metric | 0.8144 |
| Dice metric | 0.8144 |
| MW: | 146.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM221705
Similarity: 0.6327
Similarity to MM221705
| Tanimoto metric | 0.6327 |
|---|---|
| Cosine metric | 0.7755 |
| Dice metric | 0.775 |
| MW: | 148.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+631 more
