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DocumentationIdentifier: MM328641
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM328641 |
| SMILES |
N=C(CO)NC(CN)CN
|
| InChIKey |
PTBYXZUNQSTFTA-UHFFFAOYSA-N
|
| MW [Da] |
146.19
Automatically obtained from RDkit software. |
| LogP |
-2.17
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM142041
Similarity: 0.9072
Similarity to MM142041
| Tanimoto metric | 0.9072 |
|---|---|
| Cosine metric | 0.9525 |
| Dice metric | 0.9514 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM226773
Similarity: 0.7607
Similarity to MM226773
| Tanimoto metric | 0.7607 |
|---|---|
| Cosine metric | 0.8655 |
| Dice metric | 0.8641 |
| MW: | 145.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM262460
Similarity: 0.7395
Similarity to MM262460
| Tanimoto metric | 0.7395 |
|---|---|
| Cosine metric | 0.8519 |
| Dice metric | 0.8502 |
| MW: | 145.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+377 more
