Compounds

ALA5287660

Name:
3',5-diallyl-3-(pyrrolidin-1-yl(3,4,5-trimethoxyph
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Mol. Formula:
C32H37NO5

M.W.:
515.65

Type:
---

AlogP:
6.43

Polar Surface Area:
71.39

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA5287620

Name:
1,8-dihydroxy-5,6-dimethoxy-2-(((2R,3S,4S,5R,6S)-3
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Mol. Formula:
C21H22O12

M.W.:
466.40

Type:
---

AlogP:
-0.45

Polar Surface Area:
188.51

HBA:
12

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA5287336

Name:
N-(3-(pyridin-2-ylmethylcarbamoyl)-5,6-dihydro-4H-
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Mol. Formula:
C20H18N4O2S

M.W.:
378.46

Type:
---

AlogP:
3.21

Polar Surface Area:
83.98

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA5287329

Name:
6,8-dihydroxy-1,2-dimethoxy-9H-xanthen-9-one

Mol. Formula:
C15H12O6

M.W.:
288.25

Type:
---

AlogP:
2.37

Polar Surface Area:
89.13

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA5287286

Name:
6-hydroxy-3,5-dimethoxy-1-(((2R,3S,4S,5R,6S)-3,4,5
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Mol. Formula:
C21H22O11

M.W.:
450.40

Type:
---

AlogP:
-0.15

Polar Surface Area:
168.28

HBA:
11

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA5287039

Name:
N-(4-ethylphenyl)-2-(4-((4-(4-oxo-3-(phenylamino)-
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Mol. Formula:
C33H31N7O3

M.W.:
573.66

Type:
---

AlogP:
5.65

Polar Surface Area:
113.41

HBA:
8

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA5286942

Name:
N-benzyl-2-(4-((4-(4-oxo-3-(phenylamino)-1,2,3,4-t
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Mol. Formula:
C32H29N7O3

M.W.:
559.63

Type:
---

AlogP:
4.77

Polar Surface Area:
113.41

HBA:
8

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA5286697

Name:
5,5'-diallyl-3-((dibutylamino)methyl)-[1,1'-biphen
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Mol. Formula:
C27H37NO2

M.W.:
407.60

Type:
---

AlogP:
6.62

Polar Surface Area:
43.70

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA5286499

Name:
3',5-diallyl-3-((3,5-dichlorophenyl)(4-methylpiper
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Mol. Formula:
C31H33Cl2NO2

M.W.:
522.52

Type:
---

AlogP:
8.35

Polar Surface Area:
43.70

HBA:
3

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA5286422

Name:
N-(3-(4-methoxybenzylcarbamoyl)-4,5,6,7-tetrahydro
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Mol. Formula:
C23H23N3O3S

M.W.:
421.52

Type:
---

AlogP:
4.21

Polar Surface Area:
80.32

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA5286251

Name:
3',5-diallyl-3,5'-bis((4-methoxyphenyl)(4-methylpi
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Mol. Formula:
C46H56N2O4

M.W.:
700.96

Type:
---

AlogP:
9.88

Polar Surface Area:
65.40

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA5285651

Name:
3',5-diallyl-3,5'-bis((dipropylamino)methyl)biphen
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Mol. Formula:
C32H48N2O2

M.W.:
492.75

Type:
---

AlogP:
7.47

Polar Surface Area:
46.94

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA5285158

Name:
N-(3-(pyridin-2-ylmethylcarbamoyl)-4,5,6,7-tetrahy
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Mol. Formula:
C21H20N4O2S

M.W.:
392.48

Type:
---

AlogP:
3.60

Polar Surface Area:
83.98

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA5284885

Name:
3',5-diallyl-3-((4-methylpiperidin-1-yl)(phenyl)me
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Mol. Formula:
C31H35NO2

M.W.:
453.63

Type:
---

AlogP:
7.04

Polar Surface Area:
43.70

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA5284378

Name:
5,5'-diallyl-3-((diisobutylamino)methyl)-[1,1'-bip
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Mol. Formula:
C27H37NO2

M.W.:
407.60

Type:
---

AlogP:
6.34

Polar Surface Area:
43.70

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA5284335

Name:
3',5-diallyl-3-(phenyl(piperidin-1-yl)methyl)-[1,1
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Mol. Formula:
C30H33NO2

M.W.:
439.60

Type:
---

AlogP:
6.80

Polar Surface Area:
43.70

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA5283691

Name:
N-(3-(4-hydroxy-3-methoxybenzylcarbamoyl)-5,6-dihy
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Mol. Formula:
C22H21N3O4S

M.W.:
423.49

Type:
---

AlogP:
3.53

Polar Surface Area:
100.55

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA5283373

Name:
5,5'-diallyl-3-((methyl(phenyl)amino)methyl)-[1,1'
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Mol. Formula:
C26H27NO2

M.W.:
385.51

Type:
---

AlogP:
5.86

Polar Surface Area:
43.70

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA5283357

Name:
methyl 4-((2-(nicotinamido)-4,5,6,7-tetrahydrobenz
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Mol. Formula:
C24H23N3O4S

M.W.:
449.53

Type:
---

AlogP:
3.99

Polar Surface Area:
97.39

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA5283167

Name:
N-(4-bromophenyl)-2-(4-((4-(4-oxo-3-(phenylamino)-
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Mol. Formula:
C31H26BrN7O3

M.W.:
624.50

Type:
---

AlogP:
5.85

Polar Surface Area:
113.41

HBA:
8

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.19

DETAILS