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DocumentationIdentifier: MM385864
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM385864 |
| SMILES |
CCCNC(CN)CCC
|
| InChIKey |
VHPOBRRSPJCIDZ-UHFFFAOYSA-N
|
| MW [Da] |
144.26
Automatically obtained from RDkit software. |
| LogP |
1.11
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM177785
Similarity: 0.8987
Similarity to MM177785
| Tanimoto metric | 0.8987 |
|---|---|
| Cosine metric | 0.948 |
| Dice metric | 0.9467 |
| MW: | 130.24 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM385866
Similarity: 0.8621
Similarity to MM385866
| Tanimoto metric | 0.8621 |
|---|---|
| Cosine metric | 0.9262 |
| Dice metric | 0.9259 |
| MW: | 145.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM402203
Similarity: 0.8072
Similarity to MM402203
| Tanimoto metric | 0.8072 |
|---|---|
| Cosine metric | 0.8946 |
| Dice metric | 0.8933 |
| MW: | 144.26 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+669 more
