Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM82976
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM82976 |
| SMILES |
CC(=N)NC(C)(C)C#N
|
| InChIKey |
KHGGZXBMWNCXHR-UHFFFAOYSA-N
|
| MW [Da] |
125.18
Automatically obtained from RDkit software. |
| LogP |
0.88
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM104362
Similarity: 0.7558
Similarity to MM104362
| Tanimoto metric | 0.7558 |
|---|---|
| Cosine metric | 0.8694 |
| Dice metric | 0.8609 |
| MW: | 111.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM227028
Similarity: 0.7414
Similarity to MM227028
| Tanimoto metric | 0.7414 |
|---|---|
| Cosine metric | 0.861 |
| Dice metric | 0.8515 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM64605
Similarity: 0.686
Similarity to MM64605
| Tanimoto metric | 0.686 |
|---|---|
| Cosine metric | 0.8283 |
| Dice metric | 0.8138 |
| MW: | 111.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+287 more
