Identifier: MM350396
2D Structure
3D Structure
Source:
General | |
Identifier | MM350396 |
SMILES |
C=CC(O)C(=C)CCC
|
InChIKey |
BBXZXSJQCXBOAR-UHFFFAOYSA-N
|
MW [Da] |
126.2
Automatically obtained from RDkit software. |
LogP |
1.89
Automatically obtained from RDkit software. |
Links | |
PubChem |
N/A |
DrugBank |
N/A |
ChEBI |
N/A |
PDB |
N/A |
ChEMBL |
N/A |
Similar entries
MM350636
Similarity: 0.866
Similarity to MM350636
Tanimoto metric | 0.866 |
---|---|
Cosine metric | 0.9306 |
Dice metric | 0.9282 |
MW: | 140.23 |
||||
---|---|---|---|---|---|
PI: | 2
Total passive interactions
|
LogP: | 2.28 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
MM342950
Similarity: 0.8
Similarity to MM342950
Tanimoto metric | 0.8 |
---|---|
Cosine metric | 0.8944 |
Dice metric | 0.8889 |
MW: | 140.23 |
||||
---|---|---|---|---|---|
PI: | 2
Total passive interactions
|
LogP: | 2.14 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
MM350757
Similarity: 0.7778
Similarity to MM350757
Tanimoto metric | 0.7778 |
---|---|
Cosine metric | 0.8819 |
Dice metric | 0.875 |
MW: | 141.21 |
||||
---|---|---|---|---|---|
PI: | 2
Total passive interactions
|
LogP: | 0.83 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
+473 more