Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM92595
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM92595 |
| SMILES |
CC(C)NCC#CC(=N)N
|
| InChIKey |
HUKCLRRRKOZIPX-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
-0.08
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM154597
Similarity: 0.8472
Similarity to MM154597
| Tanimoto metric | 0.8472 |
|---|---|
| Cosine metric | 0.9204 |
| Dice metric | 0.9173 |
| MW: | 125.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM96072
Similarity: 0.7349
Similarity to MM96072
| Tanimoto metric | 0.7349 |
|---|---|
| Cosine metric | 0.8472 |
| Dice metric | 0.8472 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM106460
Similarity: 0.7083
Similarity to MM106460
| Tanimoto metric | 0.7083 |
|---|---|
| Cosine metric | 0.8416 |
| Dice metric | 0.8293 |
| MW: | 111.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+320 more
