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DocumentationIdentifier: MM374528
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM374528 |
| SMILES |
CNCCNCC1(C)CC1
|
| InChIKey |
FIOOMZAVDXVCFG-UHFFFAOYSA-N
|
| MW [Da] |
142.25
Automatically obtained from RDkit software. |
| LogP |
0.6
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM176108
Similarity: 0.9405
Similarity to MM176108
| Tanimoto metric | 0.9405 |
|---|---|
| Cosine metric | 0.9698 |
| Dice metric | 0.9693 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM115692
Similarity: 0.7976
Similarity to MM115692
| Tanimoto metric | 0.7976 |
|---|---|
| Cosine metric | 0.8931 |
| Dice metric | 0.8874 |
| MW: | 113.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM374522
Similarity: 0.7717
Similarity to MM374522
| Tanimoto metric | 0.7717 |
|---|---|
| Cosine metric | 0.8716 |
| Dice metric | 0.8712 |
| MW: | 142.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+347 more
