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DocumentationIdentifier: MM357677
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM357677 |
| SMILES |
C=CC=CC(=N)NCCN
|
| InChIKey |
CIHWTEZIXDYUNP-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
0.25
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM279267
Similarity: 0.77
Similarity to MM279267
| Tanimoto metric | 0.77 |
|---|---|
| Cosine metric | 0.8704 |
| Dice metric | 0.8701 |
| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM357829
Similarity: 0.6972
Similarity to MM357829
| Tanimoto metric | 0.6972 |
|---|---|
| Cosine metric | 0.8217 |
| Dice metric | 0.8216 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM357610
Similarity: 0.6972
Similarity to MM357610
| Tanimoto metric | 0.6972 |
|---|---|
| Cosine metric | 0.8217 |
| Dice metric | 0.8216 |
| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+429 more
