Compounds

ALA5266497

Name:
(2R)-2-{2-[(2R)-2-amino-3-(1H-indol-3-yl)propanamido]acetamido}-3-(4-hydroxShow More⌵

Mol. Formula:
C22H24N4O5

M.W.:
424.46

Type:
---

AlogP:
0.67

Polar Surface Area:
157.54

HBA:
5

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA5282621

Name:
5-(4-chlorophenyl)-7-phenyl-3H,4H,4aH,7H,7aH-pyrrolo[2,3-d]pyrimidin-4-one

Mol. Formula:
C18H14ClN3O

M.W.:
323.78

Type:
---

AlogP:
3.30

Polar Surface Area:
44.70

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.92

DETAILS

ALA5282410

Name:
4-{3H-benzo[e]indole-2-carbonyl}pyridine hydrochloride

Mol. Formula:
C18H13ClN2O

M.W.:
308.77

Type:
---

AlogP:
3.95

Polar Surface Area:
45.75

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA5281032

Name:
4-[[4-(1,3-benzodioxol-5-yl)-5-chloro-2-thienyl]sulfonylamino]-2-hydroxy-beShow More⌵

Mol. Formula:
C18H12ClNO7S2

M.W.:
453.88

Type:
---

AlogP:
4.00

Polar Surface Area:
122.16

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA5276596

Name:
6-(4-bromophenyl)-7-phenyl-3H,4H,4aH,7H,7aH-pyrrolo[2,3-d]pyrimidin-4-one

Mol. Formula:
C18H14BrN3O

M.W.:
368.23

Type:
---

AlogP:
3.41

Polar Surface Area:
44.70

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA5273875

Name:
8-(3-methyl-1-benzofuran-5-yl)-N-[(S)-(1-methyl-1H-1,2,3-triazol-5-yl)(1-meShow More⌵

Mol. Formula:
C25H22N8O

M.W.:
450.51

Type:
---

AlogP:
4.41

Polar Surface Area:
99.48

HBA:
9

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA5273338

Name:
2-benzoyl-3H-benzo[e]indole

Mol. Formula:
C19H13NO

M.W.:
271.32

Type:
---

AlogP:
4.55

Polar Surface Area:
32.86

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA5272966

Name:
4-(5-chloro-4-{3-[(propan-2-yloxy)carbonyl]phenyl}thiophene-2-sulfonamido)-Show More⌵

Mol. Formula:
C21H18ClNO7S2

M.W.:
495.96

Type:
---

AlogP:
4.84

Polar Surface Area:
130.00

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA5289308

Name:
2-hydroxy-4-[[3-(6-quinolyl)phenyl]sulfonylamino]benzoic acid

Mol. Formula:
C22H16N2O5S

M.W.:
420.45

Type:
---

AlogP:
4.11

Polar Surface Area:
116.59

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA5288625

Name:
2-hydroxyethyl 4-(5'-fluoro-2'-hydroxy-[1,1'-biphenyl]-3-ylsulfonamido)-2-hShow More⌵

Mol. Formula:
C21H18FNO7S

M.W.:
447.44

Type:
---

AlogP:
2.85

Polar Surface Area:
133.16

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA5287238

Name:
7-(4-bromophenyl)-5-phenyl-3H,4H,4aH,7H,7aH-pyrrolo[2,3-d]pyrimidin-4-one

Mol. Formula:
C18H14BrN3O

M.W.:
368.23

Type:
---

AlogP:
3.41

Polar Surface Area:
44.70

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA5286061

Name:
3-{[8-(1-methyl-1H-indol-6-yl)quinoxalin-6-yl]amino}-N-(oxan-4-yl)pyridine-Show More⌵

Mol. Formula:
C28H26N6O2

M.W.:
478.56

Type:
---

AlogP:
4.84

Polar Surface Area:
93.96

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA5285350

Name:
4-{5'-fluoro-2'-hydroxy-[1,1'-biphenyl]-3-sulfonamido}-2-hydroxybenzoic aciShow More⌵

Mol. Formula:
C19H14FNO6S

M.W.:
403.39

Type:
---

AlogP:
3.40

Polar Surface Area:
123.93

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5270052

Name:
7-(3-methoxyphenyl)-5-(4-methoxyphenyl)-3H,4H,4aH,7H,7aH-pyrrolo[2,3-d]pyriShow More⌵

Mol. Formula:
C20H19N3O3

M.W.:
349.39

Type:
---

AlogP:
2.67

Polar Surface Area:
63.16

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.92

DETAILS

ALA5272308

Name:
8-(1-methylindol-6-yl)-N-(4-methylsulfonyl-3-pyridyl)quinoxalin-6-amine

Mol. Formula:
C23H19N5O2S

M.W.:
429.51

Type:
---

AlogP:
4.33

Polar Surface Area:
89.77

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA5271413

Name:
8-(3-methylbenzothiophen-5-yl)-N-(4-methylsulfonyl-3-pyridyl)quinoxalin-6-aShow More⌵

Mol. Formula:
C23H18N4O2S2

M.W.:
446.56

Type:
---

AlogP:
5.36

Polar Surface Area:
84.84

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA5270896

Name:
4-[(2,5-dichloro-3-thienyl)sulfonylamino]-2-hydroxy-benzoic acid

Mol. Formula:
C11H7Cl2NO5S2

M.W.:
368.22

Type:
---

AlogP:
3.26

Polar Surface Area:
103.70

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA5093876

Name:
8-(1-methylindol-6-yl)-N-[(S)-(1-methylpyrazol-3-yl)-(3-methyltriazol-4-yl)Show More⌵

Mol. Formula:
C25H23N9

M.W.:
449.52

4 activity values

3 unique targets

Type:
Unknown

AlogP:
3.85

Polar Surface Area:
91.27

HBA:
9

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA5093213

Name:
N-[(R)-(3-methylimidazol-4-yl)-(1-methylpyrazol-4-yl)methyl]-8-(1-methylindShow More⌵

Mol. Formula:
C26H24N8

M.W.:
448.53

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.46

Polar Surface Area:
78.38

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA5092801

Name:
N-[(S)-(3-methylimidazol-4-yl)-(1-methylpyrazol-4-yl)methyl]-8-(1-methylindShow More⌵

Mol. Formula:
C26H24N8

M.W.:
448.53

5 activity values

3 unique targets

Type:
Unknown

AlogP:
4.46

Polar Surface Area:
78.38

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.42

DETAILS