Identifier: MM172759
2D Structure
3D Structure
Source:
General | |
Identifier | MM172759 |
SMILES |
C=CCC(C)C(=O)C=C
|
InChIKey |
VRMMWGBGQLXVLX-UHFFFAOYSA-N
|
MW [Da] |
124.18
Automatically obtained from RDkit software. |
LogP |
1.95
Automatically obtained from RDkit software. |
Links | |
PubChem |
N/A |
DrugBank |
N/A |
ChEBI |
N/A |
PDB |
N/A |
ChEMBL |
N/A |
Similar entries
MM111836
Similarity: 0.8133
Similarity to MM111836
Tanimoto metric | 0.8133 |
---|---|
Cosine metric | 0.9018 |
Dice metric | 0.8971 |
MW: | 112.17 |
||||
---|---|---|---|---|---|
PI: | 3
Total passive interactions
|
LogP: | 1.79 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
MM108252
Similarity: 0.76
Similarity to MM108252
Tanimoto metric | 0.76 |
---|---|
Cosine metric | 0.8718 |
Dice metric | 0.8636 |
MW: | 112.17 |
||||
---|---|---|---|---|---|
PI: | 3
Total passive interactions
|
LogP: | 1.79 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
MM378666
Similarity: 0.75
Similarity to MM378666
Tanimoto metric | 0.75 |
---|---|
Cosine metric | 0.866 |
Dice metric | 0.8571 |
MW: | 136.19 |
||||
---|---|---|---|---|---|
PI: | 2
Total passive interactions
|
LogP: | 2.12 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
+717 more