Compounds

Type:
---

AlogP:
1.31

Polar Surface Area:
121.06

HBA:
10

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4585571

Name:
N,N'-(dodecane-1,12-diyl)bis(N'-hydroxy-3,4-dimethoxybenzothioamide)

Mol. Formula:
C30H46N4O6

M.W.:
558.72

Type:
Unknown

AlogP:
5.77

Polar Surface Area:
126.16

HBA:
8

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
19

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA4542282

Name:
N,N'-(dodecane-1,12-diyl)bis(N'-methoxybenzimidamide)

Mol. Formula:
C28H42N4O2

M.W.:
466.67

Type:
Unknown

AlogP:
6.08

Polar Surface Area:
67.24

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA4515989

Name:
N,N'-(dodecane-1,12-diyl)bis(N',3,4-trimethoxybenzothioamide)

Mol. Formula:
C32H50N4O6

M.W.:
586.77

Type:
Unknown

AlogP:
6.12

Polar Surface Area:
104.16

HBA:
8

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
21

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA4449903

Name:
N,N'-(dodecane-1,12-diyl)bis(N'-hydroxy-3-methoxybenzimidamide)

Mol. Formula:
C28H42N4O4

M.W.:
498.67

Type:
Unknown

AlogP:
5.76

Polar Surface Area:
107.70

HBA:
6

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA4447383

Name:
N,N'-(dodecane-1,12-diyl)bis(N',3-dimethoxybenzimidamide)

Mol. Formula:
C30H46N4O4

M.W.:
526.72

Type:
Unknown

AlogP:
6.10

Polar Surface Area:
85.70

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
19

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA4445478

Name:
N,N'-(dodecane-1,12-diyl)bis(N'-hydroxybenzimidamide)

Mol. Formula:
C26H38N4O2

M.W.:
438.62

Type:
Unknown

AlogP:
5.74

Polar Surface Area:
89.24

HBA:
4

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA2314647

Name:
5-(2-Methoxyethyl)-3-(3-(1-(5-(5-(2-methoxyethyl)-4-methylthiazol-3-ium-3-yShow More⌵

Mol. Formula:
C24H39Cl2N5O2S2

M.W.:
564.65

Type:
Small molecule

AlogP:
3.47

Polar Surface Area:
56.93

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA2314646

Name:
3-Benzyl-5-(2-(4-(3-(5-(2-methoxyethyl)-4-methylthiazol-3-ium-3-yl)propyl)-Show More⌵

Mol. Formula:
C25H33Cl2N5OS2

M.W.:
554.61

Type:
Small molecule

AlogP:
3.71

Polar Surface Area:
47.70

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA2314645

Name:
3-(3-(1-(2-(3,4-Dimethylthiazol-3-ium-5-yl)ethyl)-1H-1,2,3-triazol-4-yl)proShow More⌵

Mol. Formula:
C19H29Cl2N5OS2

M.W.:
478.52

Type:
Small molecule

AlogP:
2.19

Polar Surface Area:
47.70

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA2314644

Name:
3-Benzyl-5-(2-(4-((2-(3-benzyl-4-methylthiazol-3-ium-5-yl)-ethoxy)methyl)-1Show More⌵

Mol. Formula:
C29H33Br2N5OS2

M.W.:
691.56

Type:
Small molecule

AlogP:
4.69

Polar Surface Area:
47.70

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA2314643

Name:
5-(2-(4-((2-(3,4-Dimethylthiazol-3-ium-5-yl)ethoxy)methyl)-1H-1,2,3-triazolShow More⌵

Mol. Formula:
C17H25Cl2N5OS2

M.W.:
450.46

Type:
Small molecule

AlogP:
1.67

Polar Surface Area:
47.70

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA2314642

Name:
3,3'-(1,4-Phenylenebis(but-3-yne-4,1-diyl))bis(5-(2-hydroxyethyl)-4-methyltShow More⌵

Mol. Formula:
C26H30Br2N2O2S2

M.W.:
626.48

Type:
Small molecule

AlogP:
2.95

Polar Surface Area:
48.22

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA2314641

Name:
3,3'-(1,4-Phenylenebis(prop-2-yne-3,1-diyl))bis(5-(2-methoxyethyl)-4-methylShow More⌵

Mol. Formula:
C26H30Br2N2O2S2

M.W.:
626.48

Type:
Small molecule

AlogP:
3.48

Polar Surface Area:
26.22

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA2314640

Name:
3,3'-(1,4-Phenylenebis(prop-2-yne-3,1-diyl))bis(5-(2-hydroxyethyl)-4-methylShow More⌵

Mol. Formula:
C24H26Br2N2O2S2

M.W.:
598.43

Type:
Small molecule

AlogP:
2.17

Polar Surface Area:
48.22

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA2314639

Name:
3,3'-([1,1'-Biphenyl]-4,4'-diylbis(butane-4,1-diyl))bis(5-(2-methoxyethyl)-Show More⌵

Mol. Formula:
C34H46Cl2N2O2S2

M.W.:
649.79

Type:
Small molecule

AlogP:
7.09

Polar Surface Area:
26.22

HBA:
4

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA2314637

Name:
3,3'-(Naphthalene-1,4-diylbis(butane-4,1-diyl))bis(5-(2-methoxyethyl)-4-metShow More⌵

Mol. Formula:
C32H44Cl2N2O2S2

M.W.:
623.76

Type:
Small molecule

AlogP:
6.58

Polar Surface Area:
26.22

HBA:
4

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA2314636

Name:
3,3'-(Naphthalene-1,4-diylbis(butane-4,1-diyl))bis(5-(2-hydroxyethyl)-4-metShow More⌵

Mol. Formula:
C30H40Cl2N2O2S2

M.W.:
595.70

Type:
Small molecule

AlogP:
5.27

Polar Surface Area:
48.22

HBA:
4

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA2314634

Name:
3,3'-(Thiophene-2,5-diylbis(butane-4,1-diyl))bis(5-(2-hydroxyethyl)-4-methyShow More⌵

Mol. Formula:
C24H36Cl2N2O2S3

M.W.:
551.67

Type:
Small molecule

AlogP:
4.18

Polar Surface Area:
48.22

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA2314633

Name:
3,3'-(1,3-Phenylenebis(butane-4,1-diyl))bis(5-(2-methoxyethyl)-4-methylthiaShow More⌵

Mol. Formula:
C28H42Cl2N2O2S2

M.W.:
573.70