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DocumentationIdentifier: MM433726
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM433726 |
| SMILES |
CNCC1NC1C(N)CN
|
| InChIKey |
ZMVJIGRFPAZYKY-UHFFFAOYSA-N
|
| MW [Da] |
144.22
Automatically obtained from RDkit software. |
| LogP |
-2.17
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM210540
Similarity: 0.8121
Similarity to MM210540
| Tanimoto metric | 0.8121 |
|---|---|
| Cosine metric | 0.9012 |
| Dice metric | 0.8963 |
| MW: | 130.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -2.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM196315
Similarity: 0.7771
Similarity to MM196315
| Tanimoto metric | 0.7771 |
|---|---|
| Cosine metric | 0.8766 |
| Dice metric | 0.8746 |
| MW: | 129.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM433744
Similarity: 0.7602
Similarity to MM433744
| Tanimoto metric | 0.7602 |
|---|---|
| Cosine metric | 0.8638 |
| Dice metric | 0.8638 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+308 more
