Compounds

Type:
Unknown

AlogP:
3.81

Polar Surface Area:
85.17

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA4556590

Name:
1-((5-Bromo-4-((4-bromonaphth-1-yl)methyl)-4H-1,2,
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Mol. Formula:
C19H13Br2Cl2N5O2S2

M.W.:
638.19

Type:
Unknown

AlogP:
6.20

Polar Surface Area:
89.77

HBA:
7

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA4554148

Name:
1-((5-Bromo-4-((4-bromonaphth-1-yl)methyl)-4H-1,2,
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Mol. Formula:
C19H14Br3N5O2S2

M.W.:
648.20

Type:
Unknown

AlogP:
5.65

Polar Surface Area:
89.77

HBA:
7

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA4551589

Name:
1-((5-Bromo-4-((4-bromonaphth-1-yl)methyl)-4H-1,2,
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Mol. Formula:
C19H14Br2IN5O2S2

M.W.:
695.20

Type:
Unknown

AlogP:
5.50

Polar Surface Area:
89.77

HBA:
7

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA4568207

Name:
Sodium ((5-bromo-4-((4-bromonaphth-1-yl)methyl)-4H
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Mol. Formula:
C14H10Br2N3NaO3S2

M.W.:
515.18

Type:
Unknown

AlogP:
3.94

Polar Surface Area:
85.08

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4517057

Name:
1-((5-Bromo-4-((4-bromonaphth-1-yl)methyl)-4H-1,2,
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Mol. Formula:
C20H16Br2N4O2S2

M.W.:
568.32

Type:
Unknown

AlogP:
5.50

Polar Surface Area:
76.88

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4516802

Name:
1-((5-Bromo-4-((4-bromonaphth-1-yl)methyl)-4H-1,2,
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Mol. Formula:
C20H14Br2F3N5O2S2

M.W.:
637.30

Type:
Unknown

AlogP:
5.91

Polar Surface Area:
89.77

HBA:
7

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA4546569

Name:
1-((5-Bromo-4-((4-bromonaphth-1-yl)methyl)-4H-1,2,
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Mol. Formula:
C19H15Br2N5O2S2

M.W.:
569.30

Type:
Unknown

AlogP:
4.89

Polar Surface Area:
89.77

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4744854

Name:
3-Chloro-2-hydroxy-5-(indoline-1-carbonyl)benzonit
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Mol. Formula:
C16H11ClN2O2

M.W.:
298.73

Type:
Unknown

AlogP:
3.12

Polar Surface Area:
64.33

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA4744272

Name:
5-(2,5-dihydro-1H-pyrrole-1-carbonyl)-2-hydroxy-3-
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Mol. Formula:
C13H9F3N2O2

M.W.:
282.22

8 activity values

5 unique targets

Type:
Unknown

AlogP:
2.29

Polar Surface Area:
64.33

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA4744184

Name:
3-(3-Cyano-4-hydroxy-5-trifluoromethylbenzoyl)-1,2
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Mol. Formula:
C16H9F3N2O2S

M.W.:
350.32

6 activity values

Type:
Unknown

AlogP:
3.99

Polar Surface Area:
64.33

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA4742110

Name:
3-bromo-2-hydroxy-5-(thiazolidine-3-carbonyl)benzo
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Mol. Formula:
C11H9BrN2O2S

M.W.:
313.18

Type:
Unknown

AlogP:
2.17

Polar Surface Area:
64.33

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA4741663

Name:
5-(azetidine-1-carbonyl)-3-tert-butyl-2-hydroxyben
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Mol. Formula:
C15H18N2O2

M.W.:
258.32

Type:
Unknown

AlogP:
2.41

Polar Surface Area:
64.33

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA4740995

Name:
3-(3-Cyano-5-cyclopropyl-4-hydroxy-benzoyl)-1,1-di
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Mol. Formula:
C18H14N2O4S

M.W.:
354.39

7 activity values

Type:
Unknown

AlogP:
2.53

Polar Surface Area:
98.47

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA4764339

Name:
5-(2,5-dihydro-1H-pyrrole-1-carbonyl)-2-hydroxy-3-
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Mol. Formula:
C15H16N2O2

M.W.:
256.30

Type:
Unknown

AlogP:
2.23

Polar Surface Area:
64.33

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA4762461

Name:
2-Hydroxy-5-(indoline-1-carbonyl)benzonitrile

Mol. Formula:
C16H12N2O2

M.W.:
264.28

5 activity values

Type:
Unknown

AlogP:
2.47

Polar Surface Area:
64.33

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA4762261

Name:
5-(azetidine-1-carbonyl)-2-hydroxy-3-(trifluoromet
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Mol. Formula:
C12H9F3N2O2

M.W.:
270.21

Type:
Unknown

AlogP:
2.13

Polar Surface Area:
64.33

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA4762003

Name:
3-(4-Hydroxy-3-methoxy-5-trifluoromethylbenzoyl)-1
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Mol. Formula:
C16H12F3NO5S

M.W.:
387.33

4 activity values

Type:
Unknown

AlogP:
2.81

Polar Surface Area:
83.91

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA4761464

Name:
5-(2,5-dihydro-1H-pyrrole-1-carbonyl)-2-hydroxy-3-
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Mol. Formula:
C12H9IN2O2

M.W.:
340.12

Type:
Unknown

AlogP:
1.88

Polar Surface Area:
64.33

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA4760971

Name:
3-(3-Chloro-4-hydroxy-5-methylsulfanylbenzoyl)-1,1
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Mol. Formula:
C15H12ClNO4S2

M.W.:
369.85

4 activity values