Compounds

Type:
Small molecule

AlogP:
2.51

Polar Surface Area:
65.60

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA1743617

Name:
6-Bromo-3-(4-imidazol-1-yl-butyl)-3H-benzo[d][1,2,3]triazin-4-one HCl

Mol. Formula:
C14H15BrClN5O

M.W.:
384.67

Type:
Small molecule

AlogP:
2.23

Polar Surface Area:
65.60

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA1743616

Name:
3-(6-Imidazol-1-yl-hexyl)-3H-benzo[d][1,2,3]triazin-4-one HCl

Mol. Formula:
C16H20ClN5O

M.W.:
333.82

Type:
Small molecule

AlogP:
2.25

Polar Surface Area:
65.60

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA1743615

Name:
3-(5-Imidazol-1-yl-pentyl)-6-methyl-3H-benzo[d][1,2,3]triazin-4-one HCl

Mol. Formula:
C16H20ClN5O

M.W.:
333.82

Type:
Small molecule

AlogP:
2.17

Polar Surface Area:
65.60

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA1743613

Name:
3-(4-Imidazol-1-yl-butyl)-6-methyl-3H-benzo[d][1,2,3]triazin-4-one HCl

Mol. Formula:
C15H18ClN5O

M.W.:
319.80

Type:
Small molecule

AlogP:
1.78

Polar Surface Area:
65.60

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA1743612

Name:
6-Chloro-3-(8-imidazol-1-yl-octyl)-3H-benzo[d][1,2,3]triazin-4-one HCl

Mol. Formula:
C18H23Cl2N5O

M.W.:
396.32

Type:
Small molecule

AlogP:
3.68

Polar Surface Area:
65.60

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA1743611

Name:
6-Chloro-3-(3-imidazol-1-yl-2-methyl-propyl)-3H-benzo[d][1,2,3]triazin-4-onShow More⌵

Mol. Formula:
C14H15Cl2N5O

M.W.:
340.21

Type:
Small molecule

AlogP:
1.98

Polar Surface Area:
65.60

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA1743610

Name:
3-(5-Imidazol-1-yl-pentyl)-3H-benzo[d][1,2,3]triazin-4-one HCl

Mol. Formula:
C15H18ClN5O

M.W.:
319.80

Type:
Small molecule

AlogP:
1.86

Polar Surface Area:
65.60

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA1203458

Name:
2-Fluoro-N-(3-[1,2,4]triazol-1-yl-propyl)-benzamide hydrochloride

Mol. Formula:
C12H14ClFN4O

M.W.:
284.72

Type:
Small molecule

AlogP:
1.24

Polar Surface Area:
59.81

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA541827

Name:
6-Chloro-3-(4-imidazol-1-yl-butyl)-1H-quinazoline-2,4-dione hydrochloride

Mol. Formula:
C15H16Cl2N4O2

M.W.:
355.23

Type:
Small molecule

AlogP:
2.02

Polar Surface Area:
72.68

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA554990

Name:
6-Chloro-3-(3-imidazol-1-yl-2-methyl-propyl)-1H-quinazoline-2,4-dione hydroShow More⌵

Mol. Formula:
C15H16Cl2N4O2

M.W.:
355.23

Type:
Small molecule

AlogP:
1.88

Polar Surface Area:
72.68

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA537618

Name:
2-(5-[1,2,4]Triazol-1-yl-pentyl)-isoindole-1,3-dione hydrochloride

Mol. Formula:
C15H17ClN4O2

M.W.:
320.78

Type:
Small molecule

AlogP:
1.74

Polar Surface Area:
68.09

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA558783

Name:
2-(5-Imidazol-1-yl-pentyl)-isoindole-1,3-dione hydrochloride

Mol. Formula:
C16H18ClN3O2

M.W.:
319.79

Type:
Small molecule

AlogP:
2.35

Polar Surface Area:
55.20

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA535802

Name:
2-(4-Imidazol-1-yl-butyl)-4-methyl-isoindole-1,3-dione hydrochloride

Mol. Formula:
C16H18ClN3O2

M.W.:
319.79

Type:
Small molecule

AlogP:
2.27

Polar Surface Area:
55.20

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA558769

Name:
2-[4-(2-Phenyl-imidazol-1-yl)-butyl]-isoindole-1,3-dione hydrochloride

Mol. Formula:
C21H20ClN3O2

M.W.:
381.86

Type:
Small molecule

AlogP:
3.63

Polar Surface Area:
55.20

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA545568

Name:
2-(3-Chloro-phenyl)-N-(3-[1,2,4]triazol-1-yl-propyl)-acetamide hydrochloridShow More⌵

Mol. Formula:
C13H16Cl2N4O

M.W.:
315.20

Type:
Small molecule

AlogP:
1.68

Polar Surface Area:
59.81

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA545565

Name:
N-(3-[1,2,4]Triazol-1-yl-propyl)-3-trifluoromethyl-benzamide hydrochloride

Mol. Formula:
C13H14ClF3N4O

M.W.:
334.73

Type:
Small molecule

AlogP:
2.12

Polar Surface Area:
59.81

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA555860

Name:
4-(3-Imidazol-1-yl-phenyl)-2,6-dimethyl-pyridine-3,5-dicarboxylic acid dietShow More⌵

Mol. Formula:
C22H25Cl2N3O4

M.W.:
466.37

Type:
Small molecule

AlogP:
3.90

Polar Surface Area:
83.31

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA165997

Name:
4-Bromo-2-(4-imidazol-1-yl-butyl)-isoindole-1,3-dione

Mol. Formula:
C15H14BrN3O2

M.W.:
348.20

Type:
Small molecule

AlogP:
2.72

Polar Surface Area:
55.20

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA355614

Name:
4,5-Dichloro-2-(3-imidazol-1-yl-propyl)-isoindole-1,3-dione

Mol. Formula:
C14H11Cl2N3O2

M.W.:
324.17