Identifier: MM39592
2D Structure
3D Structure
Source:
General | |
Identifier | MM39592 |
SMILES |
CCCCC#CC#N
|
InChIKey |
LQKVSUAZSZDGDW-UHFFFAOYSA-N
|
MW [Da] |
107.16
Automatically obtained from RDkit software. |
LogP |
1.7
Automatically obtained from RDkit software. |
Links | |
PubChem |
N/A |
DrugBank |
N/A |
ChEBI |
N/A |
PDB |
N/A |
ChEMBL |
N/A |
Similar entries
MM214365
Similarity: 0.9091
Similarity to MM214365
Tanimoto metric | 0.9091 |
---|---|
Cosine metric | 0.9535 |
Dice metric | 0.9524 |
MW: | 117.15 |
||||
---|---|---|---|---|---|
PI: | 2
Total passive interactions
|
LogP: | 1.32 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
MM450176
Similarity: 0.9091
Similarity to MM450176
Tanimoto metric | 0.9091 |
---|---|
Cosine metric | 0.9535 |
Dice metric | 0.9524 |
MW: | 131.18 |
||||
---|---|---|---|---|---|
PI: | 2
Total passive interactions
|
LogP: | 1.71 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
MM214214
Similarity: 0.8696
Similarity to MM214214
Tanimoto metric | 0.8696 |
---|---|
Cosine metric | 0.9325 |
Dice metric | 0.9302 |
MW: | 121.18 |
||||
---|---|---|---|---|---|
PI: | 3
Total passive interactions
|
LogP: | 2.09 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
+574 more