Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM78882
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM78882 |
| SMILES |
C#CC(=NC)NCCCN
|
| InChIKey |
VCMMZBUBPQZZGS-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
-0.41
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM415550
Similarity: 0.7876
Similarity to MM415550
| Tanimoto metric | 0.7876 |
|---|---|
| Cosine metric | 0.8812 |
| Dice metric | 0.8812 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM342220
Similarity: 0.7607
Similarity to MM342220
| Tanimoto metric | 0.7607 |
|---|---|
| Cosine metric | 0.8642 |
| Dice metric | 0.8641 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM415425
Similarity: 0.7417
Similarity to MM415425
| Tanimoto metric | 0.7417 |
|---|---|
| Cosine metric | 0.8522 |
| Dice metric | 0.8517 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+256 more
