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DocumentationIdentifier: MM45495
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM45495 |
| SMILES |
CC(C)NCC#N
|
| InChIKey |
KCMLHEAFFIUPAW-UHFFFAOYSA-N
|
| MW [Da] |
98.15
Automatically obtained from RDkit software. |
| LogP |
0.51
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM102777
Similarity: 0.7561
Similarity to MM102777
| Tanimoto metric | 0.7561 |
|---|---|
| Cosine metric | 0.8695 |
| Dice metric | 0.8611 |
| MW: | 112.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM45518
Similarity: 0.7436
Similarity to MM45518
| Tanimoto metric | 0.7436 |
|---|---|
| Cosine metric | 0.8563 |
| Dice metric | 0.8529 |
| MW: | 98.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM112893
Similarity: 0.7209
Similarity to MM112893
| Tanimoto metric | 0.7209 |
|---|---|
| Cosine metric | 0.8491 |
| Dice metric | 0.8378 |
| MW: | 109.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+258 more
