Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM179731
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM179731 |
| SMILES |
CC(C)C(C=O)CC#N
|
| InChIKey |
MBMRHRPULHWVDZ-UHFFFAOYSA-N
|
| MW [Da] |
125.17
Automatically obtained from RDkit software. |
| LogP |
1.37
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM388191
Similarity: 0.8
Similarity to MM388191
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM116058
Similarity: 0.75
Similarity to MM116058
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 111.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM94200
Similarity: 0.6889
Similarity to MM94200
| Tanimoto metric | 0.6889 |
|---|---|
| Cosine metric | 0.8262 |
| Dice metric | 0.8158 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+266 more
