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DocumentationIdentifier: MM405520
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM405520 |
| SMILES |
CC#CCCN(C=N)CC
|
| InChIKey |
QUSLBLDLYAQFCE-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
1.33
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM303772
Similarity: 0.798
Similarity to MM303772
| Tanimoto metric | 0.798 |
|---|---|
| Cosine metric | 0.8897 |
| Dice metric | 0.8876 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM167676
Similarity: 0.7831
Similarity to MM167676
| Tanimoto metric | 0.7831 |
|---|---|
| Cosine metric | 0.8849 |
| Dice metric | 0.8784 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM370470
Similarity: 0.7386
Similarity to MM370470
| Tanimoto metric | 0.7386 |
|---|---|
| Cosine metric | 0.8528 |
| Dice metric | 0.8497 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+243 more
