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DocumentationIdentifier: MM96148
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM96148 |
| SMILES |
C=C(C)N=CNCCN
|
| InChIKey |
DBCXOTNMRHGBGY-UHFFFAOYSA-N
|
| MW [Da] |
127.19
Automatically obtained from RDkit software. |
| LogP |
0.1
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM375275
Similarity: 0.7711
Similarity to MM375275
| Tanimoto metric | 0.7711 |
|---|---|
| Cosine metric | 0.8781 |
| Dice metric | 0.8707 |
| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM153747
Similarity: 0.72
Similarity to MM153747
| Tanimoto metric | 0.72 |
|---|---|
| Cosine metric | 0.8372 |
| Dice metric | 0.8372 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM61822
Similarity: 0.6709
Similarity to MM61822
| Tanimoto metric | 0.6709 |
|---|---|
| Cosine metric | 0.8034 |
| Dice metric | 0.803 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+136 more
