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DocumentationIdentifier: MM198576
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM198576 |
| SMILES |
NCCNC(CN)CO
|
| InChIKey |
WFWOTPGQSKAPHO-UHFFFAOYSA-N
|
| MW [Da] |
133.2
Automatically obtained from RDkit software. |
| LogP |
-2.15
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM402238
Similarity: 0.8701
Similarity to MM402238
| Tanimoto metric | 0.8701 |
|---|---|
| Cosine metric | 0.9328 |
| Dice metric | 0.9306 |
| MW: | 147.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM115934
Similarity: 0.8507
Similarity to MM115934
| Tanimoto metric | 0.8507 |
|---|---|
| Cosine metric | 0.9224 |
| Dice metric | 0.9194 |
| MW: | 118.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM198577
Similarity: 0.8356
Similarity to MM198577
| Tanimoto metric | 0.8356 |
|---|---|
| Cosine metric | 0.9104 |
| Dice metric | 0.9104 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -2.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+342 more
