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DocumentationIdentifier: MM455302
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM455302 |
| SMILES |
CCN(C=O)CCN1CC1
|
| InChIKey |
TZDZZDJWZVVSJX-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
-0.22
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM209055
Similarity: 0.8481
Similarity to MM209055
| Tanimoto metric | 0.8481 |
|---|---|
| Cosine metric | 0.9209 |
| Dice metric | 0.9178 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM55110
Similarity: 0.8354
Similarity to MM55110
| Tanimoto metric | 0.8354 |
|---|---|
| Cosine metric | 0.914 |
| Dice metric | 0.9103 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM419133
Similarity: 0.7732
Similarity to MM419133
| Tanimoto metric | 0.7732 |
|---|---|
| Cosine metric | 0.875 |
| Dice metric | 0.8721 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+62 more
