Compounds

Type:
Small molecule

AlogP:
5.47

Polar Surface Area:
80.92

HBA:
4

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA3217124

Name:
N-(4-Amino-2,6-diisopropylphenyl)-N'-{[4-[3-(3-hydroxypropoxy)phenyl]-1-(2-Show More⌵

Mol. Formula:
C35H50Cl2N4O4

M.W.:
661.72

Type:
Small molecule

AlogP:
6.65

Polar Surface Area:
109.08

HBA:
6

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA3217123

Name:
N-(4-Amino-2,6-diisopropylphenyl)-N'-{[4-(3-methoxyphenyl)-1-(3-methoxypyriShow More⌵

Mol. Formula:
C32H45Cl2N5O3

M.W.:
618.65

Type:
Small molecule

AlogP:
6.29

Polar Surface Area:
101.74

HBA:
6

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA3216911

Name:
N-(4-Amino-2,6-diisopropylphenyl)-N'-{[1-[2-(3-hydroxypropoxy)phenyl]-4-(3-Show More⌵

Mol. Formula:
C35H50Cl2N4O4

M.W.:
661.72

Type:
Small molecule

AlogP:
6.65

Polar Surface Area:
109.08

HBA:
6

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA3216678

Name:
N-(4-Amino-2,6-diisopropylphenyl)-N'-{[1-[2-(2-hydroxyethoxy)phenyl]-4-(3-mShow More⌵

Mol. Formula:
C34H48Cl2N4O4

M.W.:
647.69

Type:
Small molecule

AlogP:
6.26

Polar Surface Area:
109.08

HBA:
6

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA3216677

Name:
N-(4-Amino-2,6-diisopropylphenyl)-N'-{[1-(2-isopropoxyphenyl)-4-(3-methoxypShow More⌵

Mol. Formula:
C35H50Cl2N4O3

M.W.:
645.72

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
7.67

Polar Surface Area:
88.85

HBA:
5

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA3216237

Name:
N-(4-Amino-2,6-diisopropylphenyl)-N'-{[1-[3-(3-hydroxypropoxy)pyridin-2-yl]Show More⌵

Mol. Formula:
C34H49Cl2N5O4

M.W.:
662.70

Type:
Small molecule

AlogP:
6.04

Polar Surface Area:
121.97

HBA:
7

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA3216235

Name:
N-(4-Amino-2,6-diisopropylphenyl)-N'-{[4-(3-methoxyphenyl)-1-pyridin-4-ylpiShow More⌵

Mol. Formula:
C31H43Cl2N5O2

M.W.:
588.62

Type:
Small molecule

AlogP:
6.28

Polar Surface Area:
92.51

HBA:
5

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA3215790

Name:
N-(4-Amino-2,6-diisopropylphenyl)-N'-{[4-(3-hydroxyphenyl)-1-(2-methoxyphenShow More⌵

Mol. Formula:
C32H44Cl2N4O3

M.W.:
603.64

Type:
Small molecule

AlogP:
6.59

Polar Surface Area:
99.85

HBA:
5

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA3215788

Name:
N-(4-Amino-2,6-diisopropylphenyl)-N'-{[4-(3-methoxyphenyl)-1-pyridin-3-ylpiShow More⌵

Mol. Formula:
C31H43Cl2N5O2

M.W.:
588.62

Type:
Small molecule

AlogP:
6.28

Polar Surface Area:
92.51

HBA:
5

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA2093029

Name:
(S)-2-Hexylsulfanyl-decanoic acid (6-methylsulfanyl-quinolin-5-yl)-amide

Mol. Formula:
C26H40N2OS2

M.W.:
460.75

Type:
Small molecule

AlogP:
8.33

Polar Surface Area:
41.99

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA2093028

Name:
(S)-2-Hexylsulfanyl-decanoic acid (6-methyl-2,4-bis-methylsulfanyl-pyridin-Show More⌵

Mol. Formula:
C24H42N2OS3

M.W.:
470.81

Type:
Small molecule

AlogP:
8.21

Polar Surface Area:
41.99

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA1794875

Name:
6-[4,5-Bis-(4-isopropyl-phenyl)-1H-imidazol-2-ylsulfanylmethyl]-4-hydroxy-4Show More⌵

Mol. Formula:
C56H68N4O6S2

M.W.:
957.32

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA1794874

Name:
6-[4,5-Bis-(4-tert-butyl-phenyl)-1H-imidazol-2-ylsulfanylmethyl]-4-hydroxy-Show More⌵

Mol. Formula:
C60H76N4O6S2

M.W.:
1013.42

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA1794873

Name:
4-Hydroxy-4-methyl-6-(3,4,5-triphenyl-1H-imidazol-2-ylsulfanylmethyl)-tetraShow More⌵

Mol. Formula:
C56H52N4O6S2

M.W.:
941.19