Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM215368
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM215368 |
| SMILES |
CC=COC=CNC=O
|
| InChIKey |
ITBMZFXWNONDHI-UHFFFAOYSA-N
|
| MW [Da] |
127.14
Automatically obtained from RDkit software. |
| LogP |
0.75
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM452833
Similarity: 0.8657
Similarity to MM452833
| Tanimoto metric | 0.8657 |
|---|---|
| Cosine metric | 0.9304 |
| Dice metric | 0.928 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM290467
Similarity: 0.8406
Similarity to MM290467
| Tanimoto metric | 0.8406 |
|---|---|
| Cosine metric | 0.9168 |
| Dice metric | 0.9134 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM452838
Similarity: 0.8286
Similarity to MM452838
| Tanimoto metric | 0.8286 |
|---|---|
| Cosine metric | 0.9103 |
| Dice metric | 0.9063 |
| MW: | 142.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+351 more
