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DocumentationIdentifier: MM127016
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM127016 |
| SMILES |
CCNCCN1CC1
|
| InChIKey |
CFRBUUFKAUQUEQ-UHFFFAOYSA-N
|
| MW [Da] |
114.19
Automatically obtained from RDkit software. |
| LogP |
-0.09
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM129629
Similarity: 0.9565
Similarity to MM129629
| Tanimoto metric | 0.9565 |
|---|---|
| Cosine metric | 0.978 |
| Dice metric | 0.9778 |
| MW: | 112.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM218088
Similarity: 0.9167
Similarity to MM218088
| Tanimoto metric | 0.9167 |
|---|---|
| Cosine metric | 0.9574 |
| Dice metric | 0.9565 |
| MW: | 129.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM121215
Similarity: 0.913
Similarity to MM121215
| Tanimoto metric | 0.913 |
|---|---|
| Cosine metric | 0.9545 |
| Dice metric | 0.9545 |
| MW: | 114.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+66 more
