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DocumentationIdentifier: MM127587
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM127587 |
| SMILES |
CCC1NC1CNC
|
| InChIKey |
HMRYTKOPABLCSK-UHFFFAOYSA-N
|
| MW [Da] |
114.19
Automatically obtained from RDkit software. |
| LogP |
-0.04
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM194629
Similarity: 0.8692
Similarity to MM194629
| Tanimoto metric | 0.8692 |
|---|---|
| Cosine metric | 0.9323 |
| Dice metric | 0.93 |
| MW: | 129.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM216539
Similarity: 0.8692
Similarity to MM216539
| Tanimoto metric | 0.8692 |
|---|---|
| Cosine metric | 0.9323 |
| Dice metric | 0.93 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM194628
Similarity: 0.8304
Similarity to MM194628
| Tanimoto metric | 0.8304 |
|---|---|
| Cosine metric | 0.9112 |
| Dice metric | 0.9073 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+259 more
