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DocumentationIdentifier: MM415488
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM415488 |
| SMILES |
NC=C(C=O)C(O)CC=O
|
| InChIKey |
LTNFMTCSSWXBTB-UHFFFAOYSA-N
|
| MW [Da] |
143.14
Automatically obtained from RDkit software. |
| LogP |
-1.02
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM197934
Similarity: 0.875
Similarity to MM197934
| Tanimoto metric | 0.875 |
|---|---|
| Cosine metric | 0.9354 |
| Dice metric | 0.9333 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM415245
Similarity: 0.7134
Similarity to MM415245
| Tanimoto metric | 0.7134 |
|---|---|
| Cosine metric | 0.8337 |
| Dice metric | 0.8327 |
| MW: | 145.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM299139
Similarity: 0.7044
Similarity to MM299139
| Tanimoto metric | 0.7044 |
|---|---|
| Cosine metric | 0.8278 |
| Dice metric | 0.8266 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+302 more
