Compounds

ALA5267284

Name:
(3S,4S,5S,6R)-3-(aminomethyl)-6-(hydroxymethyl)tetrahydro-2H-pyran-2,3,4,5-Show More⌵

Mol. Formula:
C7H15NO6

M.W.:
209.20

Type:
---

AlogP:
-3.89

Polar Surface Area:
136.40

HBA:
7

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA5266266

Name:
1-ethyl-4-(2-(4-fluorophenyl)propyl)piperazine

Mol. Formula:
C15H23FN2

M.W.:
250.36

Type:
---

AlogP:
2.57

Polar Surface Area:
6.48

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA5281064

Name:
3-chloro-6-fluorobenzo[b]thiophene-2-carboxylic acid

Mol. Formula:
C9H4ClFO2S

M.W.:
230.65

Type:
---

AlogP:
3.39

Polar Surface Area:
37.30

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA5279021

Name:
(1S,2S,4S,5S)-4-(((2S,3S,4S,5S,6R)-6-(aminomethyl)-3,4,5-trihydroxytetrahydShow More⌵

Mol. Formula:
C32H44N6O10

M.W.:
672.74

Type:
---

AlogP:
-0.52

Polar Surface Area:
261.82

HBA:
12

HBD:
8

#RO5 Violations:
3

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.05

DETAILS

ALA5277579

Name:
5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one

Mol. Formula:
C8H10N4O

M.W.:
178.19

Type:
---

AlogP:
0.37

Polar Surface Area:
63.05

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA5276990

Name:
N-(3,4-dimethylphenyl)-N-methyl-4-oxo-3-(4-phenylpiperazine-1-carbonyl)-1,4Show More⌵

Mol. Formula:
C29H30N4O4S

M.W.:
530.65

Type:
---

AlogP:
3.93

Polar Surface Area:
93.79

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA5276974

Name:
3,5-dihydroxy-N-((1R,2S)-2-(((2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyltetrShow More⌵

Mol. Formula:
C20H28N2O8

M.W.:
424.45

Type:
---

AlogP:
-0.67

Polar Surface Area:
168.58

HBA:
8

HBD:
7

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA5276939

Name:
5-(trifluoromethyl)benzo[b]thiophene-2-carboxylic acid

Mol. Formula:
C10H5F3O2S

M.W.:
246.21

Type:
---

AlogP:
3.62

Polar Surface Area:
37.30

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA5275794

Name:
2-(2-((4-fluorobenzyl)thio)thiazol-4-yl)acetic acid

Mol. Formula:
C12H10FNO2S2

M.W.:
283.35

Type:
---

AlogP:
3.20

Polar Surface Area:
50.19

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA5275742

Name:
3-(3-(4-((aminooxy)carbonyl)phenyl)propyl)-7-(4-(pyrimidin-2-yl)piperazine-Show More⌵

Mol. Formula:
C27H29N7O4

M.W.:
515.57

Type:
---

AlogP:
2.23

Polar Surface Area:
142.78

HBA:
9

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA5275617

Name:
N-(2-(1H-indol-3-yl)ethyl)-7-hydroxy-5-oxo-5H-thiazolo[3,2-a]pyrimidine-6-cShow More⌵

Mol. Formula:
C17H14N4O3S

M.W.:
354.39

Type:
---

AlogP:
1.92

Polar Surface Area:
99.49

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5275172

Name:
N-((2R,3R,4R,5S,6R)-2-hydroxy-6-(hydroxymethyl)-5-(((2S,3R,4S,5R,6R)-3,4,5-Show More⌵

Mol. Formula:
C20H35NO15

M.W.:
529.49

Type:
---

AlogP:
-6.40

Polar Surface Area:
257.32

HBA:
15

HBD:
10

#RO5 Violations:
3

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA5274423

Name:
methyl (1S,2S,4R,5S)-4,5-dihydroxy-2-(((1R,2S)-2-(((2R,3S,4R,5S,6S)-3,4,5-tShow More⌵

Mol. Formula:
C22H36N2O10

M.W.:
488.53

Type:
---

AlogP:
-2.47

Polar Surface Area:
194.88

HBA:
10

HBD:
7

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA5273586

Name:
N-ethyl-4-(2-hydroxyphenyl)piperazine-1-carboxamide

Mol. Formula:
C13H19N3O2

M.W.:
249.31

Type:
---

AlogP:
1.24

Polar Surface Area:
55.81

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.83

DETAILS

ALA5290718

Name:
N-(2-(2,3-dihydroimidazo[2,1-b]thiazol-6-yl)ethyl)-5-imino-5H-thiazolo[3,2-Show More⌵

Mol. Formula:
C14H14N6OS2

M.W.:
346.44

Type:
---

AlogP:
1.15

Polar Surface Area:
88.07

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA5290361

Name:
4-((3,5-dimethyl-1H-pyrazol-4-yl)methyl)phenol

Mol. Formula:
C12H14N2O

M.W.:
202.26

Type:
---

AlogP:
2.32

Polar Surface Area:
48.91

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.78

DETAILS

ALA5289811

Name:
6-fluoro-2-naphthoic acid

Mol. Formula:
C11H7FO2

M.W.:
190.17

Type:
---

AlogP:
2.68

Polar Surface Area:
37.30

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.75

DETAILS

ALA5289548

Name:
ethyl 3-(trifluoromethyl)-1H-pyrazole-5-carboxylate

Mol. Formula:
C7H7F3N2O2

M.W.:
208.14

Type:
---

AlogP:
1.61

Polar Surface Area:
54.98

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.75

DETAILS

ALA5288093

Name:
3-(((2-chloro-6-fluorobenzyl)thio)methyl)-7-(4-phenylpiperazine-1-carbonyl)Show More⌵

Mol. Formula:
C27H26ClFN4O2S

M.W.:
525.05

Type:
---

AlogP:
5.11

Polar Surface Area:
64.68

HBA:
5

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA5287689

Name:
methyl (Z)-4-(5-((5-oxo-1-(4-sulfamoylphenyl)-3-(trifluoromethyl)-1,5-dihydShow More⌵

Mol. Formula:
C23H16F3N3O6S

M.W.:
519.46

Type:
---

AlogP:
3.73

Polar Surface Area:
132.27

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.40

DETAILS