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DocumentationIdentifier: MM411120
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM411120 |
| SMILES |
CC=CC1NC1C(=O)CC
|
| InChIKey |
YWYXPRZPVBHRSH-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
0.88
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM416868
Similarity: 0.8381
Similarity to MM416868
| Tanimoto metric | 0.8381 |
|---|---|
| Cosine metric | 0.9155 |
| Dice metric | 0.9119 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM419042
Similarity: 0.7554
Similarity to MM419042
| Tanimoto metric | 0.7554 |
|---|---|
| Cosine metric | 0.8609 |
| Dice metric | 0.8606 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM460993
Similarity: 0.6744
Similarity to MM460993
| Tanimoto metric | 0.6744 |
|---|---|
| Cosine metric | 0.8059 |
| Dice metric | 0.8056 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+75 more
