Compounds

ALA5272387

Name:
N-(5-(4-chlorophenyl)-3,4-dihydroxytetrahydrofuran-2-yl)ethanesulfonamide

Mol. Formula:
C12H16ClNO5S

M.W.:
321.78

Type:
---

AlogP:
0.40

Polar Surface Area:
95.86

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA5271944

Name:
3',6'-dihydroxy-5-thiocyanato-3H-spiro[isobenzofuran-1,9'-xanthen]-3-one

Mol. Formula:
C21H11NO5S

M.W.:
389.39

Type:
---

AlogP:
4.24

Polar Surface Area:
99.78

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA5269140

Name:
2-(tosylcarbamoyl)isonicotinic acid

Mol. Formula:
C14H12N2O5S

M.W.:
320.33

Type:
---

AlogP:
1.21

Polar Surface Area:
113.43

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA5268705

Name:
2-(cyclobutanecarbonyl)-3-(3,4-dihydroxy-5-nitrophenyl)-3-hydroxyacrylonitrShow More⌵

Mol. Formula:
C14H12N2O6

M.W.:
304.26

Type:
---

AlogP:
2.17

Polar Surface Area:
144.69

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA5268591

Name:
N-(3',6'-dihydroxy-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthen]-5-yl)benzamidShow More⌵

Mol. Formula:
C27H17NO6

M.W.:
451.43

Type:
---

AlogP:
4.92

Polar Surface Area:
105.09

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA5282569

Name:
2-((o-tolylsulfonyl)carbamoyl)isonicotinic acid

Mol. Formula:
C14H12N2O5S

M.W.:
320.33

Type:
---

AlogP:
1.21

Polar Surface Area:
113.43

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA5282141

Name:
N-(5-(4-chlorophenyl)-3,4-dihydroxytetrahydrofuran-2-yl)methanesulfonamide

Mol. Formula:
C11H14ClNO5S

M.W.:
307.75

Type:
---

AlogP:
0.01

Polar Surface Area:
95.86

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA5282054

Name:
4-((3',6'-dihydroxy-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthen]-5-yl)amino)-Show More⌵

Mol. Formula:
C24H15NO8

M.W.:
445.38

Type:
---

AlogP:
3.25

Polar Surface Area:
142.39

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA5280899

Name:
N1-(3',6'-dihydroxy-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthen]-5-yl)-N4-(3-Show More⌵

Mol. Formula:
C29H26N4O7

M.W.:
542.55

Type:
---

AlogP:
2.88

Polar Surface Area:
178.07

HBA:
9

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA5280834

Name:
4-methyl-2-(phenyldiazenyl)phenol

Mol. Formula:
C13H12N2O

M.W.:
212.25

Type:
---

AlogP:
4.12

Polar Surface Area:
44.95

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA5280448

Name:
3-(3-(but-3-yn-1-yl)diaziridin-3-yl)-N-(3',6'-dihydroxy-3-oxo-3H-spiro[isobShow More⌵

Mol. Formula:
C28H23N3O6

M.W.:
497.51

Type:
---

AlogP:
3.60

Polar Surface Area:
148.97

HBA:
8

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA5279808

Name:
N-(3',6'-dihydroxy-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthen]-5-yl)acrylamiShow More⌵

Mol. Formula:
C23H15NO6

M.W.:
401.37

Type:
---

AlogP:
3.79

Polar Surface Area:
105.09

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA5279213

Name:
1-amino-4-bromo-9,10-dioxo-9,10-dihydroanthracene-2,6-disulfonate Disodium

Mol. Formula:
C14H6BrNNa2O8S2

M.W.:
506.22

Type:
---

AlogP:
1.30

Polar Surface Area:
168.90

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA5276266

Name:
2-(((2,4-dimethylphenyl)sulfonyl)carbamoyl)isonicotinic acid

Mol. Formula:
C15H14N2O5S

M.W.:
334.35

Type:
---

AlogP:
1.52

Polar Surface Area:
113.43

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA5275957

Name:
3-(4-(9-methoxy-1,3a,4,9b-tetrahydrochromeno[3,4-c]pyrrol-2(3H)-yl)butyl)-8Show More⌵

Mol. Formula:
C30H29N5O4S

M.W.:
555.66

Type:
---

AlogP:
4.26

Polar Surface Area:
102.34

HBA:
9

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA5275732

Name:
4-oxo-4-(2-(4-(4-(trifluoromethyl)benzyl)nicotinoyl)hydrazineyl)but-2-enoicShow More⌵

Mol. Formula:
C18H14F3N3O4

M.W.:
393.32

Type:
---

AlogP:
2.09

Polar Surface Area:
108.39

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA5274437

Name:
4-(2-(4-((4'-methoxy-[1,1'-biphenyl]-4-yl)methyl)nicotinoyl)hydrazineyl)-4-Show More⌵

Mol. Formula:
C24H21N3O5

M.W.:
431.45

Type:
---

AlogP:
2.75

Polar Surface Area:
117.62

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA5274182

Name:
5,8-dihydroxy-1,2-bis((2-((2-hydroxyethyl)amino)ethyl)amino)anthracene-9,10Show More⌵

Mol. Formula:
C22H28N4O6

M.W.:
444.49

Type:
---

AlogP:
-0.14

Polar Surface Area:
163.18

HBA:
10

HBD:
8

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA5286746

Name:
4-(2-(4-(naphthalen-1-ylmethyl)nicotinoyl)hydrazineyl)-4-oxobut-2-enoic aciShow More⌵

Mol. Formula:
C21H17N3O4

M.W.:
375.38

Type:
---

AlogP:
2.23

Polar Surface Area:
108.39

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA5286685

Name:
2-((phenylsulfonyl)carbamoyl)isonicotinic acid

Mol. Formula:
C13H10N2O5S

M.W.:
306.30

Type:
---

AlogP:
0.90

Polar Surface Area:
113.43

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.87

DETAILS