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DocumentationIdentifier: MM402195
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM402195 |
| SMILES |
CCCCNC(CC)CC
|
| InChIKey |
KXGCICFQEZOPQK-UHFFFAOYSA-N
|
| MW [Da] |
143.27
Automatically obtained from RDkit software. |
| LogP |
2.56
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM165622
Similarity: 0.8545
Similarity to MM165622
| Tanimoto metric | 0.8545 |
|---|---|
| Cosine metric | 0.9244 |
| Dice metric | 0.9216 |
| MW: | 129.25 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM198563
Similarity: 0.8545
Similarity to MM198563
| Tanimoto metric | 0.8545 |
|---|---|
| Cosine metric | 0.9244 |
| Dice metric | 0.9216 |
| MW: | 129.25 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM385852
Similarity: 0.8154
Similarity to MM385852
| Tanimoto metric | 0.8154 |
|---|---|
| Cosine metric | 0.9004 |
| Dice metric | 0.8983 |
| MW: | 143.27 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+814 more
