Compounds

Type:
Unknown

AlogP:
4.27

Polar Surface Area:
75.63

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4538670

Name:
(E)-3-(3-((4-Fluorophenethyl)carbamoyl)-5-(3-methy
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Mol. Formula:
C23H24FNO3

M.W.:
381.45

Type:
Unknown

AlogP:
4.40

Polar Surface Area:
66.40

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4532211

Name:
(E)-3-(3-(3-Methylbut-2-en-1-yl)-5-((4-(trifluorom
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Mol. Formula:
C23H22F3NO4

M.W.:
433.43

Type:
Unknown

AlogP:
5.12

Polar Surface Area:
75.63

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4518474

Name:
(E)-2-(3-Methylbut-2-en-1-yl)-4-(2-(4,4,5,5-tetram
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Mol. Formula:
C28H35BO4

M.W.:
446.40

3 activity values

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4742775

Name:
N-(4-chlorobenzoyl)-melatonin

Mol. Formula:
C20H19ClN2O3

M.W.:
370.84

6 activity values

Type:
Unknown

AlogP:
3.67

Polar Surface Area:
60.33

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4592947

Name:
(E)-3-(3-((4-Methoxybenzyl)carbamoyl)-5-(3-methylb
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Mol. Formula:
C23H25NO4

M.W.:
379.46

Type:
Unknown

AlogP:
4.23

Polar Surface Area:
75.63

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4587755

Name:
(E)-3-(3-(3-Methylbut-2-en-1-yl)-5-((3-(trifluorom
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Mol. Formula:
C23H22F3NO4

M.W.:
433.43

Type:
Unknown

AlogP:
5.12

Polar Surface Area:
75.63

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4568995

Name:
(E)-3-(3-(Benzyloxy)-5-(phenethylcarbamoyl)phenyl)
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Mol. Formula:
C25H23NO4

M.W.:
401.46

8 activity values

Type:
Unknown

AlogP:
4.34

Polar Surface Area:
75.63

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4467043

Name:
(E)-3-(3-((4-(Dimethylamino)benzyl)carbamoyl)-5-(3
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Mol. Formula:
C24H28N2O3

M.W.:
392.50

Type:
Unknown

AlogP:
4.29

Polar Surface Area:
69.64

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4466610

Name:
(S)-2-(6-Methoxynaphthalen-2-yl)butanoic Acid

Mol. Formula:
C15H16O3

M.W.:
244.29

8 activity values

Type:
Unknown

AlogP:
3.43

Polar Surface Area:
46.53

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA4452808

Name:
(E)-N-(2-Bromo-5-(2-(4,4,5,5-tetramethyl-1,3,2-dio
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Mol. Formula:
C23H27BBrNO3

M.W.:
456.19

3 activity values

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4444059

Name:
7,8-bis(hydroxymethyl)-1,2,10,10a-tetrahydropyrrol
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Mol. Formula:
C14H17NO3

M.W.:
247.29

4 activity values

Type:
Unknown

AlogP:
0.72

Polar Surface Area:
60.77

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA4442107

Name:
(E)-3-(3-((3-Methoxybenzyl)oxy)-5-(phenethylcarbam
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Mol. Formula:
C26H25NO5

M.W.:
431.49

8 activity values

Type:
Unknown

AlogP:
4.34

Polar Surface Area:
84.86

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4439627

Name:
(E)-(3-(3-Methylbut-2-en-1-yl)-4-((3-phenylpropano
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Mol. Formula:
C22H25BO4

M.W.:
364.25

3 activity values

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4435241

Name:
3-oxo-1,2,3,5,10,10a-hexahydropyrrolo[1,2-b]isoqui
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Mol. Formula:
C14H13NO5

M.W.:
275.26

Type:
Unknown

AlogP:
1.13

Polar Surface Area:
94.91

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA2323519

Name:
3-(1-(4-chlorobenzoyl)-5-methoxy-3-methyl-1H-indol
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Mol. Formula:
C24H20Cl2N2O5S2

M.W.:
551.47

Type:
Small molecule

AlogP:
5.45

Polar Surface Area:
94.47

HBA:
7

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA2323513

Name:
3-(1-(4-chlorobenzoyl)-5-methoxy-3-methyl-1H-indol
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Mol. Formula:
C21H18ClF3N2O5S

M.W.:
502.90

Type:
Small molecule

AlogP:
4.20

Polar Surface Area:
94.47

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA2323501

Name:
2-(1-(4-chlorobenzoyl)-5-methoxy-1H-indol-3-yl)-N-
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Mol. Formula:
C30H23ClN2O6S

M.W.:
575.04

Type:
Small molecule

AlogP:
5.83

Polar Surface Area:
103.70

HBA:
7

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA2323484

Name:
methyl 2-(1-(4-chlorobenzoyl)-5-methoxy-1H-indol-3
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Mol. Formula:
C19H16ClNO4

M.W.:
357.79

4 activity values

Type:
Small molecule

AlogP:
3.71

Polar Surface Area:
57.53

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA2323480

Name:
methyl 2-(5-methoxy-1-(4-methoxybenzoyl)-2-methyl-
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Mol. Formula:
C21H21NO5

M.W.:
367.40

4 activity values