Identifier: MM387174
2D Structure
3D Structure
Source:
General | |
Identifier | MM387174 |
SMILES |
C=CC(=CC#CC)CC=O
|
InChIKey |
CWCFGJZRUXINQO-UHFFFAOYSA-N
|
MW [Da] |
134.18
Automatically obtained from RDkit software. |
LogP |
1.71
Automatically obtained from RDkit software. |
Links | |
PubChem |
N/A |
DrugBank |
N/A |
ChEBI |
N/A |
PDB |
N/A |
ChEMBL |
N/A |
Similar entries
MM179270
Similarity: 0.8384
Similarity to MM179270
Tanimoto metric | 0.8384 |
---|---|
Cosine metric | 0.9156 |
Dice metric | 0.9121 |
MW: | 120.15 |
||||
---|---|---|---|---|---|
PI: | 2
Total passive interactions
|
LogP: | 1.32 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
MM202110
Similarity: 0.7374
Similarity to MM202110
Tanimoto metric | 0.7374 |
---|---|
Cosine metric | 0.8587 |
Dice metric | 0.8488 |
MW: | 120.2 |
||||
---|---|---|---|---|---|
PI: | 2
Total passive interactions
|
LogP: | 2.53 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
MM406133
Similarity: 0.7027
Similarity to MM406133
Tanimoto metric | 0.7027 |
---|---|
Cosine metric | 0.8263 |
Dice metric | 0.8254 |
MW: | 134.18 |
||||
---|---|---|---|---|---|
PI: | 2
Total passive interactions
|
LogP: | 1.71 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
+533 more