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DocumentationIdentifier: MM451380
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM451380 |
| SMILES |
C=CNC=NCCNCC
|
| InChIKey |
IKHHDHIPNGKABO-UHFFFAOYSA-N
|
| MW [Da] |
141.22
Automatically obtained from RDkit software. |
| LogP |
0.36
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM214857
Similarity: 0.871
Similarity to MM214857
| Tanimoto metric | 0.871 |
|---|---|
| Cosine metric | 0.9333 |
| Dice metric | 0.931 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM91296
Similarity: 0.7639
Similarity to MM91296
| Tanimoto metric | 0.7639 |
|---|---|
| Cosine metric | 0.8664 |
| Dice metric | 0.8661 |
| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM448172
Similarity: 0.7538
Similarity to MM448172
| Tanimoto metric | 0.7538 |
|---|---|
| Cosine metric | 0.863 |
| Dice metric | 0.8596 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+257 more
