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DocumentationIdentifier: MM210539
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM210539 |
| SMILES |
CCC(N)C1NC1CN
|
| InChIKey |
DTLFSNDLYKPEGF-UHFFFAOYSA-N
|
| MW [Da] |
129.21
Automatically obtained from RDkit software. |
| LogP |
-0.98
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM442761
Similarity: 0.9065
Similarity to MM442761
| Tanimoto metric | 0.9065 |
|---|---|
| Cosine metric | 0.9521 |
| Dice metric | 0.9509 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -2.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM196313
Similarity: 0.8261
Similarity to MM196313
| Tanimoto metric | 0.8261 |
|---|---|
| Cosine metric | 0.9048 |
| Dice metric | 0.9048 |
| MW: | 129.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM124300
Similarity: 0.8095
Similarity to MM124300
| Tanimoto metric | 0.8095 |
|---|---|
| Cosine metric | 0.8997 |
| Dice metric | 0.8947 |
| MW: | 114.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+253 more
