Identifier: MM55618
2D Structure
3D Structure
Source:
General | |
Identifier | MM55618 |
SMILES |
N#CCC=C(CO)CO
|
InChIKey |
LPLWZZRJFJHUCS-UHFFFAOYSA-N
|
MW [Da] |
127.14
Automatically obtained from RDkit software. |
LogP |
-0.19
Automatically obtained from RDkit software. |
Links | |
PubChem |
N/A |
DrugBank |
N/A |
ChEBI |
N/A |
PDB |
N/A |
ChEMBL |
N/A |
Similar entries
MM37344
Similarity: 0.8689
Similarity to MM37344
Tanimoto metric | 0.8689 |
---|---|
Cosine metric | 0.9321 |
Dice metric | 0.9298 |
MW: | 111.14 |
||||
---|---|---|---|---|---|
PI: | 1
Total passive interactions
|
LogP: | 0.84 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
MM116714
Similarity: 0.7541
Similarity to MM116714
Tanimoto metric | 0.7541 |
---|---|
Cosine metric | 0.8684 |
Dice metric | 0.8598 |
MW: | 116.16 |
||||
---|---|---|---|---|---|
PI: | 3
Total passive interactions
|
LogP: | 0.31 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
MM337101
Similarity: 0.7439
Similarity to MM337101
Tanimoto metric | 0.7439 |
---|---|
Cosine metric | 0.8625 |
Dice metric | 0.8531 |
MW: | 141.17 |
||||
---|---|---|---|---|---|
PI: | 2
Total passive interactions
|
LogP: | 0.06 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
+578 more