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DocumentationIdentifier: MM94488
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM94488 |
| SMILES |
CCCCC(NC)C(C)N
|
| InChIKey |
IDYQSVSZUYCPBX-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
MM92261
Similarity: 0.8557
Similarity to MM92261
| Tanimoto metric | 0.8557 |
|---|---|
| Cosine metric | 0.9223 |
| Dice metric | 0.9222 |
| MW: | 144.26 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM94399
Similarity: 0.8462
Similarity to MM94399
| Tanimoto metric | 0.8462 |
|---|---|
| Cosine metric | 0.9199 |
| Dice metric | 0.9167 |
| MW: | 130.24 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM84624
Similarity: 0.7864
Similarity to MM84624
| Tanimoto metric | 0.7864 |
|---|---|
| Cosine metric | 0.8805 |
| Dice metric | 0.8804 |
| MW: | 144.26 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+532 more
