Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM416772
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM416772 |
| SMILES |
C#CCC1NC1C=O
|
| InChIKey |
YBWIKNFXPCKCRQ-UHFFFAOYSA-N
|
| MW [Da] |
109.13
Automatically obtained from RDkit software. |
| LogP |
-0.45
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM416876
Similarity: 0.8271
Similarity to MM416876
| Tanimoto metric | 0.8271 |
|---|---|
| Cosine metric | 0.9094 |
| Dice metric | 0.9053 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM418318
Similarity: 0.7971
Similarity to MM418318
| Tanimoto metric | 0.7971 |
|---|---|
| Cosine metric | 0.8928 |
| Dice metric | 0.8871 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM376500
Similarity: 0.7097
Similarity to MM376500
| Tanimoto metric | 0.7097 |
|---|---|
| Cosine metric | 0.8424 |
| Dice metric | 0.8302 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+127 more
