Compounds

Type:
Unknown

AlogP:
5.83

Polar Surface Area:
104.31

HBA:
6

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4877862

Name:
2-(4,5-Dibromo-1H-pyrrole-2-carboxamido)-N-hydroxy
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Mol. Formula:
C13H8Br2N4O3S

M.W.:
460.11

Type:
Unknown

AlogP:
3.52

Polar Surface Area:
107.11

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4877458

Name:
N-(6-(1H-Tetrazol-5-yl)benzo[d]thiazol-2-yl)-3,4-d
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Mol. Formula:
C14H9Cl2N7OS

M.W.:
394.25

Type:
Unknown

AlogP:
3.67

Polar Surface Area:
112.24

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4876030

Name:
4-(2-((6-((Cyanomethyl)carbamoyl)-2-(3,4-dichloro-
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Mol. Formula:
C22H23Cl3N6O4S

M.W.:
573.89

Type:
Unknown

AlogP:
3.46

Polar Surface Area:
132.37

HBA:
8

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4874918

Name:
2-(3,4-Dichloro-N-ethyl-5-methyl-1H-pyrrole-2-carb
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Mol. Formula:
C16H13Cl2N3O3S

M.W.:
398.27

Type:
Unknown

AlogP:
4.60

Polar Surface Area:
86.29

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4873935

Name:
2-(3,4-dichloro-5-methyl-1H-pyrrole-2-carboxamido)
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Mol. Formula:
C14H9Cl2N3O3S

M.W.:
370.22

Type:
Unknown

AlogP:
4.19

Polar Surface Area:
95.08

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4871682

Name:
2-(3,4-Dichloro-5-methyl-1H-pyrrole-2-carboxamido)
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Mol. Formula:
C21H14Cl2FN3O4S

M.W.:
494.33

Type:
Unknown

AlogP:
5.91

Polar Surface Area:
104.31

HBA:
5

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA4870243

Name:
4-(Benzyloxy)-N-(cyanomethyl)-2-(3,4-dichloro-5-me
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Mol. Formula:
C23H17Cl2N5O3S

M.W.:
514.39

Type:
Unknown

AlogP:
5.32

Polar Surface Area:
119.90

HBA:
6

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA4868482

Name:
4-((4-Carboxybenzyl)oxy)-2-(3,4-dichloro-5-methyl-
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Mol. Formula:
C22H15Cl2N3O6S

M.W.:
520.35

Type:
Unknown

AlogP:
5.47

Polar Surface Area:
141.61

HBA:
6

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA4868407

Name:
4-(Benzyloxy)-2-(3,4-dichloro-5-methyl-1H-pyrrole-
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Mol. Formula:
C21H16Cl2N4O3S

M.W.:
475.36

Type:
Unknown

AlogP:
5.17

Polar Surface Area:
110.10

HBA:
5

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA5286715

Name:
7-fluoro-5-(2-(4-(((3-oxo-3,4-dihydro-2H-pyrido[3,
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Mol. Formula:
C25H25FN6O4

M.W.:
492.51

Type:
---

AlogP:
2.26

Polar Surface Area:
114.52

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA5285496

Name:
2-(2-acetamidothiazol-4-yl)-N-(2-(3-ethylureido)be
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Mol. Formula:
C17H18N6O3S2

M.W.:
418.50

Type:
---

AlogP:
3.03

Polar Surface Area:
125.11

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA5284613

Name:
(S)-N-(3-((6-(3,4-dichloro-5-methyl-1H-pyrrole-2-c
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Mol. Formula:
C22H22Cl2N6O5S

M.W.:
553.43

Type:
---

AlogP:
2.53

Polar Surface Area:
169.07

HBA:
7

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA5284544

Name:
(S)-3,4-dichloro-N-(2-(((5-hydroxy-4-oxo-4H-pyran-
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Mol. Formula:
C19H18Cl2N4O4S

M.W.:
469.35

Type:
---

AlogP:
3.64

Polar Surface Area:
120.25

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA5281739

Name:
2-(4-(4,5-dichloro-1H-pyrrole-2-carboxamido)-3-iso
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Mol. Formula:
C18H19Cl2N3O5

M.W.:
428.27

Type:
---

AlogP:
3.42

Polar Surface Area:
120.52

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA5281268

Name:
(S)-4-((2-(4,5-dibromo-1H-pyrrole-2-carboxamido)-3
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Mol. Formula:
C22H19Br2N3O5

M.W.:
565.22

Type:
---

AlogP:
3.60

Polar Surface Area:
131.52

HBA:
4

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA5280982

Name:
(4-(4,5-dichloro-1H-pyrrole-2-carboxamido)-3-metho
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Mol. Formula:
C15H13Cl2N3O5

M.W.:
386.19

Type:
---

AlogP:
2.40

Polar Surface Area:
120.52

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA5279384

Name:
(S)-3,4-dichloro-N-(2-(2-(3,4-dihydroxybenzamido)a
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Mol. Formula:
C22H21Cl2N5O5S

M.W.:
538.41

Type:
---

AlogP:
3.15

Polar Surface Area:
156.44

HBA:
7

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA5278136

Name:
1-phenyl-1H-1,2,4-triazol-3-yl 5-chloro-3-methyl-1
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Mol. Formula:
C20H16ClN5O2

M.W.:
393.83

Type:
---

AlogP:
3.94

Polar Surface Area:
74.83

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4867874

Name:
4-(2-((6-Carboxy-2-(3,4-dichloro-5-methyl-1H-pyrro
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Mol. Formula:
C20H21Cl3N4O5S

M.W.:
535.84