Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM94991
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM94991 |
| SMILES |
CCNC(=N)C#CCCN
|
| InChIKey |
JYMIBIGRYWFGFH-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
-0.07
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM170625
Similarity: 0.8242
Similarity to MM170625
| Tanimoto metric | 0.8242 |
|---|---|
| Cosine metric | 0.9078 |
| Dice metric | 0.9036 |
| MW: | 125.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM282828
Similarity: 0.7843
Similarity to MM282828
| Tanimoto metric | 0.7843 |
|---|---|
| Cosine metric | 0.8791 |
| Dice metric | 0.8791 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM358973
Similarity: 0.7822
Similarity to MM358973
| Tanimoto metric | 0.7822 |
|---|---|
| Cosine metric | 0.8778 |
| Dice metric | 0.8778 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+500 more
