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DocumentationIdentifier: MM455217
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM455217 |
| SMILES |
CCN(C=O)CCC1CC1
|
| InChIKey |
JNEBPDCZBFOZCL-UHFFFAOYSA-N
|
| MW [Da] |
141.21
Automatically obtained from RDkit software. |
| LogP |
1.26
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM419089
Similarity: 0.8151
Similarity to MM419089
| Tanimoto metric | 0.8151 |
|---|---|
| Cosine metric | 0.9 |
| Dice metric | 0.8981 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM209011
Similarity: 0.802
Similarity to MM209011
| Tanimoto metric | 0.802 |
|---|---|
| Cosine metric | 0.8955 |
| Dice metric | 0.8901 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM325140
Similarity: 0.6694
Similarity to MM325140
| Tanimoto metric | 0.6694 |
|---|---|
| Cosine metric | 0.802 |
| Dice metric | 0.802 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+31 more
