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DocumentationIdentifier: MM236902
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM236902 |
| SMILES |
C=C(C)NC(=O)CCCN
|
| InChIKey |
BDEBPULQSQNESB-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
0.38
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM135521
Similarity: 0.8796
Similarity to MM135521
| Tanimoto metric | 0.8796 |
|---|---|
| Cosine metric | 0.9379 |
| Dice metric | 0.936 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM236901
Similarity: 0.7661
Similarity to MM236901
| Tanimoto metric | 0.7661 |
|---|---|
| Cosine metric | 0.8677 |
| Dice metric | 0.8676 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM223243
Similarity: 0.76
Similarity to MM223243
| Tanimoto metric | 0.76 |
|---|---|
| Cosine metric | 0.8638 |
| Dice metric | 0.8636 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+461 more
