Identifier: MM359991
2D Structure
3D Structure
Source:
General | |
Identifier | MM359991 |
SMILES |
CCC#CC(=O)C#CCC
|
InChIKey |
GWLAQWRGYCYIOD-UHFFFAOYSA-N
|
MW [Da] |
134.18
Automatically obtained from RDkit software. |
LogP |
1.38
Automatically obtained from RDkit software. |
Links | |
PubChem |
N/A |
DrugBank |
N/A |
ChEBI |
N/A |
PDB |
N/A |
ChEMBL |
N/A |
Similar entries
MM158743
Similarity: 1
Similarity to MM158743
Tanimoto metric | 1 |
---|---|
Cosine metric | 1 |
Dice metric | 1 |
MW: | 120.15 |
||||
---|---|---|---|---|---|
PI: | 2
Total passive interactions
|
LogP: | 0.99 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
MM283311
Similarity: 0.8966
Similarity to MM283311
Tanimoto metric | 0.8966 |
---|---|
Cosine metric | 0.9469 |
Dice metric | 0.9455 |
MW: | 130.15 |
||||
---|---|---|---|---|---|
PI: | 2
Total passive interactions
|
LogP: | 0.61 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
MM114627
Similarity: 0.8846
Similarity to MM114627
Tanimoto metric | 0.8846 |
---|---|
Cosine metric | 0.9405 |
Dice metric | 0.9388 |
MW: | 106.12 |
||||
---|---|---|---|---|---|
PI: | 2
Total passive interactions
|
LogP: | 0.6 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
+268 more