Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM100925
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM100925 |
| SMILES |
O=CC=CCC=O
|
| InChIKey |
NEOPYIBVKJWHMN-UHFFFAOYSA-N
|
| MW [Da] |
98.1
Automatically obtained from RDkit software. |
| LogP |
0.33
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM25216
Similarity: 0.8276
Similarity to MM25216
| Tanimoto metric | 0.8276 |
|---|---|
| Cosine metric | 0.9097 |
| Dice metric | 0.9057 |
| MW: | 84.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM25308
Similarity: 0.8276
Similarity to MM25308
| Tanimoto metric | 0.8276 |
|---|---|
| Cosine metric | 0.9097 |
| Dice metric | 0.9057 |
| MW: | 84.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM28065
Similarity: 0.7273
Similarity to MM28065
| Tanimoto metric | 0.7273 |
|---|---|
| Cosine metric | 0.8422 |
| Dice metric | 0.8421 |
| MW: | 98.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+266 more
