Compounds

ALA5270980

Name:
7-(4-(2-methoxyphenyl)piperazine-1-carbonyl)-3-(3-(o-tolyl)propyl)-3,4-dihyShow More⌵

Mol. Formula:
C30H34N4O3

M.W.:
498.63

Type:
---

AlogP:
4.72

Polar Surface Area:
73.91

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA5269845

Name:
(S)-5-amino-4-((1R,2S,3S,4S,5R)-2-((4-((3-fluorobenzyl)thio)butyl)thio)-3,4Show More⌵

Mol. Formula:
C23H33FN2O7S2

M.W.:
532.66

Type:
---

AlogP:
0.88

Polar Surface Area:
170.18

HBA:
8

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA5269455

Name:
ethyl 2-oxo-4-(trifluoromethyl)-2,3-dihydrothiazole-5-carboxylate

Mol. Formula:
C7H6F3NO3S

M.W.:
241.19

Type:
---

AlogP:
1.63

Polar Surface Area:
59.16

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA5268622

Name:
2-(4-aminophenoxy)benzoic acid

Mol. Formula:
C13H11NO3

M.W.:
229.24

Type:
---

AlogP:
2.76

Polar Surface Area:
72.55

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA5268319

Name:
isopropyl 4-(5-((5-oxo-1-(4-sulfamoylphenyl)-3-(trifluoromethyl)-1,5-dihydrShow More⌵

Mol. Formula:
C25H20F3N3O6S

M.W.:
547.51

Type:
---

AlogP:
4.51

Polar Surface Area:
132.27

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA5268209

Name:
(Z)-2-(4-(4-methylpiperazin-1-yl)-3-nitrobenzylidene)benzo[b]thiophen-3(2H)Show More⌵

Mol. Formula:
C20H19N3O3S

M.W.:
381.46

Type:
---

AlogP:
3.68

Polar Surface Area:
66.69

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA5267893

Name:
3-(3-(trifluoromethyl)-1H-pyrazol-4-yl)propan-1-ol

Mol. Formula:
C7H9F3N2O

M.W.:
194.16

Type:
---

AlogP:
1.35

Polar Surface Area:
48.91

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
Y

QED Weighted:
0.76

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

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

ALA5272727

Name:
ethyl 3-hydroxy-2-oxopiperidine-4-carboxylate

Mol. Formula:
C8H13NO4

M.W.:
187.19

Type:
---

AlogP:
-0.95

Polar Surface Area:
75.63

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA5283713

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

Mol. Formula:
C35H47ClN6O10

M.W.:
747.25

Type:
---

AlogP:
-0.63

Polar Surface Area:
243.77

HBA:
14

HBD:
8

#RO5 Violations:
3

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.09

DETAILS