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DocumentationIdentifier: MM81225
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM81225 |
| SMILES |
CCC(C)(CN)C(C)N
|
| InChIKey |
VAIAOQVPALVYGP-UHFFFAOYSA-N
|
| MW [Da] |
130.24
Automatically obtained from RDkit software. |
| LogP |
0.71
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM81186
Similarity: 0.9231
Similarity to MM81186
| Tanimoto metric | 0.9231 |
|---|---|
| Cosine metric | 0.9608 |
| Dice metric | 0.96 |
| MW: | 144.26 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM244283
Similarity: 0.8889
Similarity to MM244283
| Tanimoto metric | 0.8889 |
|---|---|
| Cosine metric | 0.9428 |
| Dice metric | 0.9412 |
| MW: | 145.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM83387
Similarity: 0.8158
Similarity to MM83387
| Tanimoto metric | 0.8158 |
|---|---|
| Cosine metric | 0.8994 |
| Dice metric | 0.8986 |
| MW: | 130.24 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+480 more
