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DocumentationIdentifier: MM233408
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM233408 |
| SMILES |
CC(C)(N=CN)C(=O)CO
|
| InChIKey |
DTCFYMGPZOPAQC-UHFFFAOYSA-N
|
| MW [Da] |
144.17
Automatically obtained from RDkit software. |
| LogP |
-0.69
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM53787
Similarity: 0.7153
Similarity to MM53787
| Tanimoto metric | 0.7153 |
|---|---|
| Cosine metric | 0.8457 |
| Dice metric | 0.834 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM378294
Similarity: 0.6092
Similarity to MM378294
| Tanimoto metric | 0.6092 |
|---|---|
| Cosine metric | 0.7575 |
| Dice metric | 0.7571 |
| MW: | 144.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM377608
Similarity: 0.6045
Similarity to MM377608
| Tanimoto metric | 0.6045 |
|---|---|
| Cosine metric | 0.7536 |
| Dice metric | 0.7535 |
| MW: | 146.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -2.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+32 more
