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DocumentationIdentifier: MM424765
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM424765 |
| SMILES |
CCC(NC)C1NC1CN
|
| InChIKey |
VMIAOGWHFKVFML-UHFFFAOYSA-N
|
| MW [Da] |
143.23
Automatically obtained from RDkit software. |
| LogP |
-0.72
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM210566
Similarity: 0.8114
Similarity to MM210566
| Tanimoto metric | 0.8114 |
|---|---|
| Cosine metric | 0.9008 |
| Dice metric | 0.8959 |
| MW: | 129.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM433744
Similarity: 0.7676
Similarity to MM433744
| Tanimoto metric | 0.7676 |
|---|---|
| Cosine metric | 0.8707 |
| Dice metric | 0.8685 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM424746
Similarity: 0.7577
Similarity to MM424746
| Tanimoto metric | 0.7577 |
|---|---|
| Cosine metric | 0.8625 |
| Dice metric | 0.8622 |
| MW: | 142.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+270 more
