Identifier: MM171666
2D Structure
3D Structure
Source:
General | |
Identifier | MM171666 |
SMILES |
C=CC(C)=CC#CCN
|
InChIKey |
UVHUZQDJMFMEFK-UHFFFAOYSA-N
|
MW [Da] |
121.18
Automatically obtained from RDkit software. |
LogP |
1.08
Automatically obtained from RDkit software. |
Links | |
PubChem |
N/A |
DrugBank |
N/A |
ChEBI |
N/A |
PDB |
N/A |
ChEMBL |
N/A |
Similar entries
MM406267
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Similarity to MM406267
Tanimoto metric | 0.9028 |
---|---|
Cosine metric | 0.9501 |
Dice metric | 0.9489 |
MW: | 133.19 |
||||
---|---|---|---|---|---|
PI: | 2
Total passive interactions
|
LogP: | 1.25 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
MM371876
Similarity: 0.8442
Similarity to MM371876
Tanimoto metric | 0.8442 |
---|---|
Cosine metric | 0.9188 |
Dice metric | 0.9155 |
MW: | 135.21 |
||||
---|---|---|---|---|---|
PI: | 2
Total passive interactions
|
LogP: | 1.34 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
MM292536
Similarity: 0.8333
Similarity to MM292536
Tanimoto metric | 0.8333 |
---|---|
Cosine metric | 0.9129 |
Dice metric | 0.9091 |
MW: | 135.21 |
||||
---|---|---|---|---|---|
PI: | 2
Total passive interactions
|
LogP: | 1.47 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
+724 more