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DocumentationIdentifier: MM419079
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM419079 |
| SMILES |
CNCCNCC1NC1C
|
| InChIKey |
VCJHCCCKHHQRPQ-UHFFFAOYSA-N
|
| MW [Da] |
143.23
Automatically obtained from RDkit software. |
| LogP |
-0.84
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM419073
Similarity: 0.9167
Similarity to MM419073
| Tanimoto metric | 0.9167 |
|---|---|
| Cosine metric | 0.9567 |
| Dice metric | 0.9565 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM124710
Similarity: 0.883
Similarity to MM124710
| Tanimoto metric | 0.883 |
|---|---|
| Cosine metric | 0.9397 |
| Dice metric | 0.9379 |
| MW: | 114.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM216540
Similarity: 0.8462
Similarity to MM216540
| Tanimoto metric | 0.8462 |
|---|---|
| Cosine metric | 0.9169 |
| Dice metric | 0.9167 |
| MW: | 129.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+206 more
