Compounds

Type:
Unknown

AlogP:
0.94

Polar Surface Area:
66.40

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4551695

Name:
N-(4-(aminomethyl)phenyl)-2-hydroxybenzamide

Cas Number:
926271-67-2

Mol. Formula:
C14H14N2O2

M.W.:
242.28

9 activity values

4 unique targets

Type:
Unknown

AlogP:
2.10

Polar Surface Area:
75.35

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA4551693

Name:
N-(3,5-dichlorophenyl)-2-hydroxy-4-methylbenzamide

Mol. Formula:
C14H11Cl2NO2

M.W.:
296.15

5 activity values

2 unique targets

Type:
Unknown

AlogP:
4.26

Polar Surface Area:
49.33

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA4551599

Name:
(E)-2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,
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Mol. Formula:
C22H18N4O3

M.W.:
386.41

Type:
Unknown

AlogP:
3.29

Polar Surface Area:
124.86

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4536808

Name:
3-bromo-N-(3,5-dichlorophenylcarbamoyl)-2,6-dimeth
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Mol. Formula:
C16H13BrCl2N2O4

M.W.:
448.10

Type:
Unknown

AlogP:
4.74

Polar Surface Area:
76.66

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4536417

Name:
2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]
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Mol. Formula:
C21H17N5O4

M.W.:
403.40

Type:
Unknown

AlogP:
2.37

Polar Surface Area:
153.96

HBA:
5

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA4535945

Name:
(1R,2S,3S,4S)-3-(2-(3-ethoxy-2-(ethoxycarbonyl)-3-
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Mol. Formula:
C17H22N2O7

M.W.:
366.37

Type:
Unknown

AlogP:
0.14

Polar Surface Area:
131.03

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA4533016

Name:
(S)-2-(2-(benzo[d][1,3]dioxol-5-yl)-4-oxo-4,5-dihy
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Mol. Formula:
C12H9NO5S

M.W.:
279.27

Type:
Unknown

AlogP:
1.28

Polar Surface Area:
85.19

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA4514050

Name:
N-(3-aminophenyl)-2-hydroxybenzamide

Mol. Formula:
C13H12N2O2

M.W.:
228.25

Type:
Unknown

AlogP:
2.23

Polar Surface Area:
75.35

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4476613

Name:
2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]
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Mol. Formula:
C22H19N5O5

M.W.:
433.42

Type:
Unknown

AlogP:
2.38

Polar Surface Area:
163.19

HBA:
6

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA4476173

Name:
5-bromo-N-(3-chloro-4-fluorophenyl)-2-hydroxybenza
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Cas Number:
663152-26-9

Mol. Formula:
C13H8BrClFNO2

M.W.:
344.57

2 unique targets

Type:
Unknown

AlogP:
4.20

Polar Surface Area:
49.33

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA4474213

Name:
2-(2,5-dichlorobenzo[b]thiophen-3-yl)ethanethioami
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Mol. Formula:
C10H7Cl2NS2

M.W.:
276.21

Type:
Unknown

AlogP:
4.04

Polar Surface Area:
26.02

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA4544605

Name:
4-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]
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Mol. Formula:
C21H17N5O4

M.W.:
403.40

Type:
Unknown

AlogP:
2.37

Polar Surface Area:
153.96

HBA:
5

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA4591345

Name:
2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]
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Mol. Formula:
C21H16ClN5O4

M.W.:
437.84

Type:
Unknown

AlogP:
3.03

Polar Surface Area:
153.96

HBA:
5

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4584953

Name:
1-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]
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Mol. Formula:
C20H21N5O4

M.W.:
395.42

Type:
Unknown

AlogP:
1.50

Polar Surface Area:
145.17

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4580935

Name:
N-(thiophen-2-ylmethyl)quinoxaline-6-carboxamide

Mol. Formula:
C14H11N3OS

M.W.:
269.33

Type:
Unknown

AlogP:
2.62

Polar Surface Area:
54.88

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA4579109

Name:
2-(2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3
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Mol. Formula:
C23H18N6O4

M.W.:
442.44

Type:
Unknown

AlogP:
2.18

Polar Surface Area:
177.75

HBA:
6

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4570994

Name:
N-(2-(1H-tetrazol-5-yl)phenyl)-4-((2-amino-4-oxo-4
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Mol. Formula:
C21H16N6O2

M.W.:
384.40

Type:
Unknown

AlogP:
2.55

Polar Surface Area:
140.45

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4570248

Name:
2-((4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d
Show More⌵

Mol. Formula:
C22H19N5O4

M.W.:
417.43

Type:
Unknown

AlogP:
2.05

Polar Surface Area:
153.96

HBA:
5

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4567826

Name:
4'-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]py
Show More⌵

Mol. Formula:
C21H18N4O4

M.W.:
390.40