Compounds

ALA5267137

Name:
2-(2-(3,4-dichlorophenyl)hydrazineylidene)-3-(5-methylisoxazol-3-yl)-3-oxopShow More⌵

Mol. Formula:
C13H9Cl2N3O4

M.W.:
342.14

Type:
---

AlogP:
3.03

Polar Surface Area:
104.79

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA5266770

Name:
(S)-N-((3R,5R,7R)-adamantan-1-yl)-1-(2-(methyldisulfaneyl)benzoyl)pyrrolidiShow More⌵

Mol. Formula:
C23H30N2O2S2

M.W.:
430.64

Type:
---

AlogP:
4.75

Polar Surface Area:
49.41

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA5282650

Name:
2-(Ethyldisulfaneyl)-N-(2-oxo-2-((3-phenoxyphenyl)amino)ethyl)benzamide

Mol. Formula:
C23H22N2O3S2

M.W.:
438.57

Type:
---

AlogP:
5.61

Polar Surface Area:
67.43

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA5282165

Name:
((3,3,3-trifluoroprop-1-en-1-yl)sulfonyl)benzene

Mol. Formula:
C9H7F3O2S

M.W.:
236.21

Type:
---

AlogP:
2.54

Polar Surface Area:
34.14

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.79

DETAILS

ALA5281696

Name:
ethyl 2-(2-(3,4-dichlorophenyl)hydrazineylidene)-3-(1-ethyl-3-methyl-1H-pyrShow More⌵

Mol. Formula:
C17H18Cl2N4O3

M.W.:
397.26

Type:
---

AlogP:
3.73

Polar Surface Area:
85.58

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA5281334

Name:
N-(2-(Dicyclohexylamino)-2-oxoethyl)-2-(ethyldisulfaneyl)benzamide

Mol. Formula:
C23H34N2O2S2

M.W.:
434.67

Type:
---

AlogP:
5.67

Polar Surface Area:
49.41

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA5281298

Name:
N-(2-((Cyclohexylmethyl)amino)-2-oxoethyl)-2-(ethyldisulfaneyl)benzamide

Mol. Formula:
C18H26N2O2S2

M.W.:
366.55

Type:
---

AlogP:
3.87

Polar Surface Area:
58.20

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA5280473

Name:
(3S)-3-[[(2S)-2-[[(2S)-1-[(2S)-2-amino-4-methyl-pentanoyl]pyrrolidine-2-carShow More⌵

Mol. Formula:
C24H42N8O8

M.W.:
570.65

Type:
---

AlogP:
-2.35

Polar Surface Area:
270.13

HBA:
8

HBD:
9

#RO5 Violations:
2

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.05

DETAILS

ALA5279799

Name:
5,5'-Disulfanediylbis(4-ethoxy-2-(3-methoxyphenyl)pyridazin-3(2H)-one)

Mol. Formula:
C26H26N4O6S2

M.W.:
554.65

Type:
---

AlogP:
4.39

Polar Surface Area:
106.70

HBA:
12

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA5277539

Name:
Herqueidiketal

Mol. Formula:
C19H20O8

M.W.:
376.36

Type:
---

AlogP:
1.40

Polar Surface Area:
122.52

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA5276536

Name:
Flavonoid

Mol. Formula:
C16H14O4

M.W.:
270.28

Type:
---

AlogP:
3.11

Polar Surface Area:
55.76

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.91

DETAILS

ALA5275425

Name:
Quercetrin

Mol. Formula:
C21H22O11

M.W.:
450.40

Type:
---

AlogP:
0.15

Polar Surface Area:
189.53

HBA:
11

HBD:
8

#RO5 Violations:
2

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA5275369

Name:
5,5'-Disulfanediylbis(4-(3-hydroxypropoxy)-2-phenylpyridazin-3(2H)-one)

Mol. Formula:
C26H26N4O6S2

M.W.:
554.65

Type:
---

AlogP:
3.10

Polar Surface Area:
128.70

HBA:
12

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA5275354

Name:
N-(2-(((3s,5s,7s)-adamantan-1-yl)amino)-2-oxoethyl)-2-(ethyldisulfaneyl)benShow More⌵

Mol. Formula:
C21H28N2O2S2

M.W.:
404.60

Type:
---

AlogP:
4.26

Polar Surface Area:
58.20

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA5274056

Name:
(4S)-5-amino-4-[[(2S)-2-[3-[[(1S)-1-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2Show More⌵

Mol. Formula:
C43H66N9O17P

M.W.:
1012.02

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5290944

Name:
5,5'-Disulfanediylbis(2-(3-fluorophenyl)-4-(3-hydroxypropoxy)pyridazin-3(2HShow More⌵

Mol. Formula:
C26H24F2N4O6S2

M.W.:
590.63

Type:
---

AlogP:
3.38

Polar Surface Area:
128.70

HBA:
12

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA5290647

Name:
5,5'-Disulfanediylbis(2-(3-fluorophenyl)-4-(2-hydroxyethoxy)pyridazin-3(2H)Show More⌵

Mol. Formula:
C24H20F2N4O6S2

M.W.:
562.58

Type:
---

AlogP:
2.60

Polar Surface Area:
128.70

HBA:
12

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA5290303

Name:
3,3'-(Disulfanediylbis(5-ethoxy-6-oxopyridazine-4,1(6H)-diyl))dibenzimidamiShow More⌵

Mol. Formula:
C26H26N8O4S2

M.W.:
578.68

Type:
---

AlogP:
2.94

Polar Surface Area:
187.98

HBA:
12

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA5288175

Name:
(R)-3-(2-(Ethyldisulfaneyl)benzamido)-4-oxo-4-((3-phenoxyphenyl)amino)butanShow More⌵

Mol. Formula:
C25H24N2O5S2

M.W.:
496.61

Type:
---

AlogP:
5.45

Polar Surface Area:
104.73

HBA:
6

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA5288146

Name:
2-(2-(3,4-dichlorophenyl)hydrazineylidene)-3-(1-ethyl-3-methyl-1H-pyrazol-5Show More⌵

Mol. Formula:
C15H14Cl2N4O3

M.W.:
369.21

Type:
---

AlogP:
3.25

Polar Surface Area:
96.58

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.35

DETAILS