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DocumentationIdentifier: MM405720
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM405720 |
| SMILES |
CCN=CNC(CC)CC
|
| InChIKey |
GPIFHVQOSWBQFX-UHFFFAOYSA-N
|
| MW [Da] |
142.25
Automatically obtained from RDkit software. |
| LogP |
1.81
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM168092
Similarity: 0.8857
Similarity to MM168092
| Tanimoto metric | 0.8857 |
|---|---|
| Cosine metric | 0.9411 |
| Dice metric | 0.9394 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM240331
Similarity: 0.7126
Similarity to MM240331
| Tanimoto metric | 0.7126 |
|---|---|
| Cosine metric | 0.8337 |
| Dice metric | 0.8322 |
| MW: | 142.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM303911
Similarity: 0.7126
Similarity to MM303911
| Tanimoto metric | 0.7126 |
|---|---|
| Cosine metric | 0.8337 |
| Dice metric | 0.8322 |
| MW: | 142.25 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+334 more
