Identifier: MM308616
2D Structure
3D Structure
Source:
General | |
Identifier | MM308616 |
SMILES |
CCC(C)(C#N)CCC#N
|
InChIKey |
YQFHHHCYPOFWKT-UHFFFAOYSA-N
|
MW [Da] |
136.2
Automatically obtained from RDkit software. |
LogP |
2.23
Automatically obtained from RDkit software. |
Links | |
PubChem |
N/A |
DrugBank |
N/A |
ChEBI |
N/A |
PDB |
N/A |
ChEMBL |
N/A |
Similar entries
MM139323
Similarity: 0.8286
Similarity to MM139323
Tanimoto metric | 0.8286 |
---|---|
Cosine metric | 0.9103 |
Dice metric | 0.9063 |
MW: | 125.22 |
||||
---|---|---|---|---|---|
PI: | 3
Total passive interactions
|
LogP: | 2.73 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
MM308310
Similarity: 0.7949
Similarity to MM308310
Tanimoto metric | 0.7949 |
---|---|
Cosine metric | 0.8857 |
Dice metric | 0.8857 |
MW: | 139.24 |
||||
---|---|---|---|---|---|
PI: | 3
Total passive interactions
|
LogP: | 3.12 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
MM229011
Similarity: 0.7595
Similarity to MM229011
Tanimoto metric | 0.7595 |
---|---|
Cosine metric | 0.8633 |
Dice metric | 0.8633 |
MW: | 139.24 |
||||
---|---|---|---|---|---|
PI: | 3
Total passive interactions
|
LogP: | 2.97 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
+275 more