Compounds

ALA5280000

Name:
12a-Aza-3alpha-hydroxy-12a-homotetrazolo[5',1':12,12a]-5beta-chol-9(11)-en-Show More⌵

Mol. Formula:
C24H36N4O3

M.W.:
428.58

Type:
---

AlogP:
3.89

Polar Surface Area:
101.13

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA5279583

Name:
Methyl 7a-aza-3alpha,12alpha-diacetoxy-7a-homotetrazolo[5',1':7,7a]-5beta-cShow More⌵

Mol. Formula:
C29H44N4O6

M.W.:
544.69

Type:
---

AlogP:
4.08

Polar Surface Area:
122.50

HBA:
10

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA5279391

Name:
12a-Aza-3alpha-hydroxy-12a-homotetrazolo[5',1':12,12a]-5beta-cholan-24-oic Show More⌵

Mol. Formula:
C24H38N4O3

M.W.:
430.59

Type:
---

AlogP:
3.67

Polar Surface Area:
101.13

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA5278553

Name:
12a-Aza-3alpha,7alpha-dihydroxy-12a-homotetrazolo[5',1':12,12a]-5beta-chol-Show More⌵

Mol. Formula:
C24H36N4O4

M.W.:
444.58

Type:
---

AlogP:
2.86

Polar Surface Area:
121.36

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA5278494

Name:
7a-Aza-3alpha-hydroxy-7a-homotetrazolo[5',1':7,7a]-5beta-cholan-24-oic acid

Mol. Formula:
C24H38N4O3

M.W.:
430.59

Type:
---

AlogP:
3.88

Polar Surface Area:
101.13

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA5287121

Name:
7a-Aza-3alpha,12alpha-dihydroxy-7a-homotetrazolo[5',1':7,7a]-5beta-cholan-2Show More⌵

Mol. Formula:
C24H38N4O4

M.W.:
446.59

Type:
---

AlogP:
2.85

Polar Surface Area:
121.36

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA5285226

Name:
Ethyl 3alpha-acetoxy-7a-aza-7a-homotetrazolo[5',1':7,7a]-5beta-cholan-24-oaShow More⌵

Mol. Formula:
C28H44N4O4

M.W.:
500.68

Type:
---

AlogP:
4.93

Polar Surface Area:
96.20

HBA:
8

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA5272052

Name:
12a-Aza-3alpha,7alpha-dihydroxy-12a-homotetrazolo[5',1':12,12a]-5beta-cholaShow More⌵

Mol. Formula:
C24H38N4O4

M.W.:
446.59

Type:
---

AlogP:
2.64

Polar Surface Area:
121.36

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA5204156

Name:
4-Hydroxy-N-(3'-hydroxy-[1,1'-biphenyl]-3-yl)-1-(4-methoxybenzyl)-1H-1,2,3-Show More⌵

Mol. Formula:
C23H20N4O4

M.W.:
416.44

6 activity values

4 unique targets

Type:
---

AlogP:
3.67

Polar Surface Area:
109.50

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA5206583

Name:
4-Hydroxy-N-(4'-hydroxy-[1,1'-biphenyl]-3-yl)-1-(4-methoxybenzyl)-1H-1,2,3-Show More⌵

Mol. Formula:
C23H20N4O4

M.W.:
416.44

5 activity values

4 unique targets

Type:
---

AlogP:
3.67

Polar Surface Area:
109.50

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA5194388

Name:
N-([1,1'-biphenyl]-3-yl)-4-hydroxy-1-(4-methoxybenzyl)-1H-1,2,3-triazole-5-Show More⌵

Mol. Formula:
C23H20N4O3

M.W.:
400.44

11 activity values

5 unique targets

Type:
---

AlogP:
3.96

Polar Surface Area:
89.27

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA5191752

Name:
N-(3,5-bis(trifluoromethyl)phenyl)-4-hydroxy-1-(4-methoxybenzyl)-1H-1,2,3-tShow More⌵

Mol. Formula:
C19H14F6N4O3

M.W.:
460.33

5 activity values

4 unique targets

Type:
---

AlogP:
4.33

Polar Surface Area:
89.27

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA5187723

Name:
N-([1,1'-biphenyl]-4-yl)-4-hydroxy-1-(4-methoxybenzyl)-1H-1,2,3-triazole-5-Show More⌵

Mol. Formula:
C23H20N4O3

M.W.:
400.44

5 activity values

4 unique targets

Type:
---

AlogP:
3.96

Polar Surface Area:
89.27

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA5183881

Name:
4-Hydroxy-1-(4-methoxybenzyl)-N-(1-phenyl-1H-benzo[d]imidazole-5-yl)-1H-1,2Show More⌵

Mol. Formula:
C24H20N6O3

M.W.:
440.46

5 activity values

3 unique targets

Type:
---

AlogP:
3.63

Polar Surface Area:
107.09

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA5175151

Name:
4-Hydroxy-1-(4-methoxybenzyl)-N-(4-phenoxyphenyl)-1H-1,2,3-triazole-5-carboShow More⌵

Mol. Formula:
C23H20N4O4

M.W.:
416.44

6 activity values

5 unique targets

Type:
---

AlogP:
4.09

Polar Surface Area:
98.50

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA5174744

Name:
N-([1,1'-biphenyl]-3-yl)-3-hydroxy-5-(4-methoxybenzyl)isoxazole-4-carboxamiShow More⌵

Mol. Formula:
C24H20N2O4

M.W.:
400.43

6 activity values

4 unique targets

Type:
---

AlogP:
4.90

Polar Surface Area:
84.59

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA5172658

Name:
4-Hydroxy-1-(4-methoxybenzyl)-N-(3-phenoxyphenyl)-1H-1,2,3-triazole-5-carboShow More⌵

Mol. Formula:
C23H20N4O4

M.W.:
416.44

9 activity values

5 unique targets

Type:
---

AlogP:
4.09

Polar Surface Area:
98.50

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA5170401

Name:
4-Hydroxy-N-(3'-methoxy-[1,1'-biphenyl]-3-yl)-1-(4-methoxybenzyl)-1H-1,2,3-Show More⌵

Mol. Formula:
C24H22N4O4

M.W.:
430.46

5 activity values

4 unique targets

Type:
---

AlogP:
3.97

Polar Surface Area:
98.50

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA5170149

Name:
4-Hydroxy-N-(4'-methoxy-[1,1'-biphenyl]-3-yl)-1-(4-methoxybenzyl)-1H-1,2,3-Show More⌵

Mol. Formula:
C24H22N4O4

M.W.:
430.46

5 activity values

4 unique targets

Type:
---

AlogP:
3.97

Polar Surface Area:
98.50

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4649502

Name:
8-Hydroxy-2-imino-N-(m-tolyl)-2H-chromene-3-carboxamide

Mol. Formula:
C17H14N2O3

M.W.:
294.31

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.18

Polar Surface Area:
86.32

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.68

DETAILS