Compounds

ALA5270874

Name:
5-Ethoxy-6-oxo-1-phenyl-1,6-dihydropyridazine-4-thiolate sodium

Mol. Formula:
C12H11N2NaO2S

M.W.:
270.29

Type:
---

AlogP:
1.92

Polar Surface Area:
44.12

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA5269466

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

Mol. Formula:
C24H20F2N4O4S2

M.W.:
530.58

Type:
---

AlogP:
4.65

Polar Surface Area:
88.24

HBA:
10

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA5269064

Name:
Benzyl N-[(1S)-1-[(2S)-2-[[(1S)-2-[[(1S)-3-chloro-1-[(1R)-1-hydroxyethyl]-2Show More⌵

Mol. Formula:
C27H39ClN4O7

M.W.:
567.08

Type:
---

AlogP:
1.50

Polar Surface Area:
154.14

HBA:
7

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA5268777

Name:
Palamatine chloride

Mol. Formula:
C23H22ClNO4

M.W.:
411.89

Type:
---

AlogP:
3.77

Polar Surface Area:
56.48

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA5268517

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

Mol. Formula:
C24H22N4O6S2

M.W.:
526.60

Type:
---

AlogP:
2.32

Polar Surface Area:
128.70

HBA:
12

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.28

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

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

ALA5286431

Name:
2-(Ethyldisulfaneyl)-N-(2-((4-fluorophenyl)amino)-2-oxoethyl)benzamide

Mol. Formula:
C17H17FN2O2S2

M.W.:
364.47

Type:
---

AlogP:
3.95

Polar Surface Area:
58.20

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA5286016

Name:
(1R,2S,3S,4S,5R)-1,2,4,5-tetrahydroxy-3-((3-(4-hydroxyphenyl)acryloyl)oxy)cShow More⌵

Mol. Formula:
C16H18O9

M.W.:
354.31

Type:
---

AlogP:
-1.38

Polar Surface Area:
164.75

HBA:
8

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA5285322

Name:
Benzyl N-[(1S)-1-[(2S)-2-[[(1S)-2-[[(E,1S)-3-(benzenesulfonyl)-1-[(1R)-1-hyShow More⌵

Mol. Formula:
C33H44N4O8S

M.W.:
656.80

Type:
---

AlogP:
2.68

Polar Surface Area:
171.21

HBA:
8

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.24

DETAILS