Identifier: MM173440
2D Structure
3D Structure
Source:
General | |
Identifier | MM173440 |
SMILES |
C=CC(C)C(=C)OC=O
|
InChIKey |
LSMFPBXHULDHPC-UHFFFAOYSA-N
|
MW [Da] |
126.16
Automatically obtained from RDkit software. |
LogP |
1.5
Automatically obtained from RDkit software. |
Links | |
PubChem |
N/A |
DrugBank |
N/A |
ChEBI |
N/A |
PDB |
N/A |
ChEMBL |
N/A |
Similar entries
MM409413
Similarity: 0.7143
Similarity to MM409413
Tanimoto metric | 0.7143 |
---|---|
Cosine metric | 0.8452 |
Dice metric | 0.8333 |
MW: | 140.18 |
||||
---|---|---|---|---|---|
PI: | 2
Total passive interactions
|
LogP: | 1.89 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
MM108428
Similarity: 0.7111
Similarity to MM108428
Tanimoto metric | 0.7111 |
---|---|
Cosine metric | 0.8433 |
Dice metric | 0.8312 |
MW: | 114.14 |
||||
---|---|---|---|---|---|
PI: | 2
Total passive interactions
|
LogP: | 1.33 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
MM411436
Similarity: 0.7031
Similarity to MM411436
Tanimoto metric | 0.7031 |
---|---|
Cosine metric | 0.8385 |
Dice metric | 0.8257 |
MW: | 136.15 |
||||
---|---|---|---|---|---|
PI: | 2
Total passive interactions
|
LogP: | 1.11 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
+188 more