Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM92807
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM92807 |
| SMILES |
CNC(=N)C#CCOC=O
|
| InChIKey |
QIVAFRQXTZMDIL-UHFFFAOYSA-N
|
| MW [Da] |
140.14
Automatically obtained from RDkit software. |
| LogP |
-0.64
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM92902
Similarity: 0.8351
Similarity to MM92902
| Tanimoto metric | 0.8351 |
|---|---|
| Cosine metric | 0.9138 |
| Dice metric | 0.9101 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM154631
Similarity: 0.7732
Similarity to MM154631
| Tanimoto metric | 0.7732 |
|---|---|
| Cosine metric | 0.8793 |
| Dice metric | 0.8721 |
| MW: | 126.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM92998
Similarity: 0.757
Similarity to MM92998
| Tanimoto metric | 0.757 |
|---|---|
| Cosine metric | 0.8621 |
| Dice metric | 0.8617 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+310 more
