Identifier: MM15589
2D Structure
3D Structure
Source:
General | |
Identifier | MM15589 |
SMILES |
N#CC#CC(=O)CC#N
|
InChIKey |
HZDAUIRDFUYZDD-UHFFFAOYSA-N
|
MW [Da] |
118.1
Automatically obtained from RDkit software. |
LogP | N/A |
Links | |
PubChem |
N/A |
DrugBank |
N/A |
ChEBI |
N/A |
PDB |
N/A |
ChEMBL |
N/A |
Similar entries
3-oxohex-4-ynenitrile
Similarity: 0.8378
Similarity to 3-oxohex-4-ynenitrile
Tanimoto metric | 0.8378 |
---|---|
Cosine metric | 0.9153 |
Dice metric | 0.9118 |
MW: | 107.11 |
||||
---|---|---|---|---|---|
PI: | 2
Total passive interactions
|
LogP: | 0.49 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
MM37250
Similarity: 0.8108
Similarity to MM37250
Tanimoto metric | 0.8108 |
---|---|
Cosine metric | 0.9005 |
Dice metric | 0.8955 |
MW: | 107.11 |
||||
---|---|---|---|---|---|
PI: | 1
Total passive interactions
|
LogP: | 0.49 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
MM158556
Similarity: 0.747
Similarity to MM158556
Tanimoto metric | 0.747 |
---|---|
Cosine metric | 0.8554 |
Dice metric | 0.8552 |
MW: | 121.14 |
||||
---|---|---|---|---|---|
PI: | 2
Total passive interactions
|
LogP: | 0.88 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
+92 more