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DocumentationIdentifier: MM153435
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM153435 |
| SMILES |
CC(F)CCC#CC#N
|
| InChIKey |
BPUQWZQWOSSKGY-UHFFFAOYSA-N
|
| MW [Da] |
125.15
Automatically obtained from RDkit software. |
| LogP |
1.65
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM370316
Similarity: 0.84
Similarity to MM370316
| Tanimoto metric | 0.84 |
|---|---|
| Cosine metric | 0.9165 |
| Dice metric | 0.913 |
| MW: | 139.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM370646
Similarity: 0.8289
Similarity to MM370646
| Tanimoto metric | 0.8289 |
|---|---|
| Cosine metric | 0.9105 |
| Dice metric | 0.9065 |
| MW: | 135.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM288264
Similarity: 0.8169
Similarity to MM288264
| Tanimoto metric | 0.8169 |
|---|---|
| Cosine metric | 0.8995 |
| Dice metric | 0.8992 |
| MW: | 139.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+612 more
