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DocumentationIdentifier: MM456708
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM456708 |
| SMILES |
NCC(=CCN1CC1)CN
|
| InChIKey |
CKTGUNYHMRYSKQ-UHFFFAOYSA-N
|
| MW [Da] |
141.22
Automatically obtained from RDkit software. |
| LogP |
-0.85
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM209694
Similarity: 0.9157
Similarity to MM209694
| Tanimoto metric | 0.9157 |
|---|---|
| Cosine metric | 0.9569 |
| Dice metric | 0.956 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM436135
Similarity: 0.759
Similarity to MM436135
| Tanimoto metric | 0.759 |
|---|---|
| Cosine metric | 0.8712 |
| Dice metric | 0.863 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM121361
Similarity: 0.7108
Similarity to MM121361
| Tanimoto metric | 0.7108 |
|---|---|
| Cosine metric | 0.8431 |
| Dice metric | 0.831 |
| MW: | 111.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+237 more
