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DocumentationIdentifier: MM280997
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM280997 |
| SMILES |
CCC#CCC(F)CC#N
|
| InChIKey |
NQPSCMAGJMHYDX-UHFFFAOYSA-N
|
| MW [Da] |
139.17
Automatically obtained from RDkit software. |
| LogP |
2.04
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM280998
Similarity: 0.8391
Similarity to MM280998
| Tanimoto metric | 0.8391 |
|---|---|
| Cosine metric | 0.9131 |
| Dice metric | 0.9125 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM281029
Similarity: 0.8182
Similarity to MM281029
| Tanimoto metric | 0.8182 |
|---|---|
| Cosine metric | 0.9006 |
| Dice metric | 0.9 |
| MW: | 136.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM107291
Similarity: 0.7273
Similarity to MM107291
| Tanimoto metric | 0.7273 |
|---|---|
| Cosine metric | 0.8528 |
| Dice metric | 0.8421 |
| MW: | 111.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+640 more
