Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM127622
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM127622 |
| SMILES |
NCCN1CC1CN
|
| InChIKey |
CXSMWCHWLHBWON-UHFFFAOYSA-N
|
| MW [Da] |
115.18
Automatically obtained from RDkit software. |
| LogP |
-1.41
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM101118
Similarity: 0.8434
Similarity to MM101118
| Tanimoto metric | 0.8434 |
|---|---|
| Cosine metric | 0.9184 |
| Dice metric | 0.915 |
| MW: | 100.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM210626
Similarity: 0.783
Similarity to MM210626
| Tanimoto metric | 0.783 |
|---|---|
| Cosine metric | 0.8849 |
| Dice metric | 0.8783 |
| MW: | 129.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM194650
Similarity: 0.7757
Similarity to MM194650
| Tanimoto metric | 0.7757 |
|---|---|
| Cosine metric | 0.8807 |
| Dice metric | 0.8737 |
| MW: | 129.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+301 more
