Compounds

Type:
Small molecule

AlogP:
5.10

Polar Surface Area:
120.52

HBA:
4

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA4176270

Name:
2-(4-(3,4-dichloro-5-methyl-1H-pyrrole-2-carboxamido)-3-isopropoxybenzamidoShow More⌵

Mol. Formula:
C18H19Cl2N3O5

M.W.:
428.27

5 activity values

4 unique targets

Type:
Small molecule

AlogP:
3.48

Polar Surface Area:
120.52

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4175776

Name:
(S)-2-(3-(2-aminoethoxy)-4-(4,5-dibromo-1H-pyrrole-2-carboxamido)benzamido)Show More⌵

Mol. Formula:
C23H23Br2ClN4O5

M.W.:
630.72

11 activity values

Type:
Small molecule

AlogP:
3.56

Polar Surface Area:
146.54

HBA:
5

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4175379

Name:
(4-(3,4-Dichloro-5-methyl-1H-pyrrole-2-carboxamido)-3-isopropoxybenzoyl)-D-Show More⌵

Mol. Formula:
C19H21Cl2N3O5

M.W.:
442.30

14 activity values

Type:
Small molecule

AlogP:
3.87

Polar Surface Area:
120.52

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4174997

Name:
Methyl (4-(4,5-dibromo-1H-pyrrole-2-carboxamido)-2-(2-(dimethylamino)ethoxyShow More⌵

Mol. Formula:
C19H22Br2N4O5

M.W.:
546.22

Type:
Small molecule

AlogP:
2.64

Polar Surface Area:
112.76

HBA:
6

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4174600

Name:
tert-Butyl (S)-(2-(2-(3,4-dichloro-5-methyl-1H-pyrrole-2-carboxamido)-5-((1Show More⌵

Mol. Formula:
C23H30Cl2N6O6

M.W.:
557.44

Type:
Small molecule

AlogP:
2.89

Polar Surface Area:
176.67

HBA:
7

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA4174422

Name:
2-(2-((Carboxymethyl)carbamoyl)-5-(4,5-dibromo-1H-pyrrole-2-carboxamido)pheShow More⌵

Mol. Formula:
C16H16Br2N4O5

M.W.:
504.14

Type:
Small molecule

AlogP:
1.94

Polar Surface Area:
146.54

HBA:
5

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4172365

Name:
(S)-3,4-Dichloro-N-(4-((1-hydrazineyl-1-oxopropan-2-yl)carbamoyl)-2-isopropShow More⌵

Mol. Formula:
C19H23Cl2N5O4

M.W.:
456.33

14 activity values

Type:
Small molecule

AlogP:
2.78

Polar Surface Area:
138.34

HBA:
5

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA4171936

Name:
(3-(2-((tert-Butoxycarbonyl)amino)ethoxy)-4-(4,5-dibromo-1H-pyrrole-2-carboShow More⌵

Mol. Formula:
C28H30Br2N4O7

M.W.:
694.38

Type:
Small molecule

AlogP:
5.12

Polar Surface Area:
158.85

HBA:
6

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA4171291

Name:
Methyl (4-(4,5-dibromo-1H-pyrrole-2-carboxamido)-3-isopropoxybenzoyl)-L-alaShow More⌵

Mol. Formula:
C19H21Br2N3O5

M.W.:
531.20

10 activity values

Type:
Small molecule

AlogP:
3.87

Polar Surface Area:
109.52

HBA:
5

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4171199

Name:
Methyl (3-(2-((tert-butoxycarbonyl)amino)ethoxy)-4-(4,5-dibromo-1H-pyrrole-Show More⌵

Mol. Formula:
C29H32Br2N4O7

M.W.:
708.40

Type:
Small molecule

AlogP:
5.21

Polar Surface Area:
147.85

HBA:
7

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA4171156

Name:
tert-Butyl (S)-(2-(2-(3,4-dichloro-5-methyl-1H-pyrrole-2-carboxamido)-5-((1Show More⌵

Mol. Formula:
C24H28Cl2N6O7

M.W.:
583.43

11 activity values

Type:
Small molecule

AlogP:
3.95

Polar Surface Area:
180.44

HBA:
8

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA4170148

Name:
(4-(4,5-Dibromo-1H-pyrrole-2-carboxamido)-3-isopropoxybenzoyl)-L-phenylalanShow More⌵

Mol. Formula:
C24H23Br2N3O5

M.W.:
593.27

Type:
Small molecule

AlogP:
5.00

Polar Surface Area:
120.52

HBA:
4

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA4169932

Name:
(4-(4,5-Dibromo-1H-pyrrole-2-carboxamido)-2-isopropoxybenzoyl)glycine

Mol. Formula:
C17H17Br2N3O5

M.W.:
503.15

11 activity values

Type:
Small molecule

AlogP:
3.39

Polar Surface Area:
120.52

HBA:
4

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4169710

Name:
Methyl (4-(4,5-dibromo-1H-pyrrole-2-carboxamido)-2-isopropoxybenzoyl)glycinShow More⌵

Mol. Formula:
C18H19Br2N3O5

M.W.:
517.17

Type:
Small molecule

AlogP:
3.48

Polar Surface Area:
109.52

HBA:
5

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4168584

Name:
(S)-methyl 2-(3-(2-aminoethoxy)-4-(4,5-dibromo-1H-pyrrole-2-carboxamido)benShow More⌵

Mol. Formula:
C24H25Br2ClN4O5

M.W.:
644.75

10 activity values

Type:
Small molecule

AlogP:
3.64

Polar Surface Area:
135.54

HBA:
6

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA4167948

Name:
Methyl (4-(4,5-dibromo-1H-pyrrole-2-carboxamido)-3-isopropoxybenzoyl)-L-valShow More⌵

Mol. Formula:
C21H25Br2N3O5

M.W.:
559.26

Type:
Small molecule

AlogP:
4.51

Polar Surface Area:
109.52

HBA:
5

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4167842

Name:
Methyl (4-(3,4-dichloro-5-methyl-1H-pyrrole-2-carboxamido)-3-isopropoxybenzShow More⌵

Mol. Formula:
C20H23Cl2N3O5

M.W.:
456.33

18 activity values

10 unique targets

Type:
Small molecule

AlogP:
3.96

Polar Surface Area:
109.52

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4167791

Name:
4,5-Dibromo-N-(2-isopropoxy-4-((pyridin-2-ylmethyl)carbamoyl)phenyl)-1H-pyrShow More⌵

Mol. Formula:
C20H18Br2N4O3

M.W.:
522.20

Type:
Small molecule

AlogP:
5.23

Polar Surface Area:
96.11

HBA:
4

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4167510

Name:
(3-(2-((tert-Butoxycarbonyl)amino)ethoxy)-4-(4,5-dibromo-1H-pyrrole-2-carboShow More⌵

Mol. Formula:
C21H24Br2N4O7

M.W.:
604.25