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DocumentationIdentifier: MM232680
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM232680 |
| SMILES |
CCCC#CCC(C)(F)F
|
| InChIKey |
YDVLMQMEMWKKEC-UHFFFAOYSA-N
|
| MW [Da] |
146.18
Automatically obtained from RDkit software. |
| LogP |
2.84
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM131761
Similarity: 0.9412
Similarity to MM131761
| Tanimoto metric | 0.9412 |
|---|---|
| Cosine metric | 0.9701 |
| Dice metric | 0.9697 |
| MW: | 132.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM102820
Similarity: 0.8235
Similarity to MM102820
| Tanimoto metric | 0.8235 |
|---|---|
| Cosine metric | 0.9075 |
| Dice metric | 0.9032 |
| MW: | 118.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM232700
Similarity: 0.8205
Similarity to MM232700
| Tanimoto metric | 0.8205 |
|---|---|
| Cosine metric | 0.9022 |
| Dice metric | 0.9014 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+592 more
