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DocumentationIdentifier: MM456710
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM456710 |
| SMILES |
NCC(=CCN1CC1)CO
|
| InChIKey |
USLXIXSMKVEKHX-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
-0.82
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM262792
Similarity: 0.7706
Similarity to MM262792
| Tanimoto metric | 0.7706 |
|---|---|
| Cosine metric | 0.8779 |
| Dice metric | 0.8705 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM209694
Similarity: 0.6972
Similarity to MM209694
| Tanimoto metric | 0.6972 |
|---|---|
| Cosine metric | 0.835 |
| Dice metric | 0.8216 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM456708
Similarity: 0.6696
Similarity to MM456708
| Tanimoto metric | 0.6696 |
|---|---|
| Cosine metric | 0.8095 |
| Dice metric | 0.8021 |
| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+194 more
