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DocumentationIdentifier: MM448911
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM448911 |
| SMILES |
N=CNCCOC=CC=O
|
| InChIKey |
YPJCUHDTCINSOV-UHFFFAOYSA-N
|
| MW [Da] |
142.16
Automatically obtained from RDkit software. |
| LogP |
-0.09
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM213709
Similarity: 0.8158
Similarity to MM213709
| Tanimoto metric | 0.8158 |
|---|---|
| Cosine metric | 0.9032 |
| Dice metric | 0.8986 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM448701
Similarity: 0.7381
Similarity to MM448701
| Tanimoto metric | 0.7381 |
|---|---|
| Cosine metric | 0.85 |
| Dice metric | 0.8493 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM448909
Similarity: 0.7209
Similarity to MM448909
| Tanimoto metric | 0.7209 |
|---|---|
| Cosine metric | 0.8381 |
| Dice metric | 0.8378 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+348 more
