Compounds

Type:
---

AlogP:
5.51

Polar Surface Area:
66.91

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA5204436

Name:
N-[(1R,2R,4S)-bicyclo[2.2.1]heptan-2-yl]-2-methyl-6-[3-(trifluoromethyl)pheShow More⌵

Mol. Formula:
C23H22F3N3

M.W.:
397.44

Type:
---

AlogP:
6.22

Polar Surface Area:
37.81

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA5202253

Name:
N-[(1R,2R,4S)-bicyclo[2.2.1]heptan-2-yl]-6-(4-chlorophenyl)-2-methylquinazoShow More⌵

Mol. Formula:
C22H22ClN3

M.W.:
363.89

6 activity values

3 unique targets

Type:
---

AlogP:
5.86

Polar Surface Area:
37.81

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA5209395

Name:
N-[(1R,2R,4S)-bicyclo[2.2.1]heptan-2-yl]-2-methyl-6-[4-(trifluoromethyl)-phShow More⌵

Mol. Formula:
C23H22F3N3

M.W.:
397.44

Type:
---

AlogP:
6.22

Polar Surface Area:
37.81

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA5209256

Name:
N-[(1R,2R,4S)-bicyclo[2.2.1]heptan-2-yl]-2-chloro-6-[4-(trifluoromethyl)pheShow More⌵

Mol. Formula:
C22H19ClF3N3

M.W.:
417.86

15 activity values

3 unique targets

Type:
---

AlogP:
6.57

Polar Surface Area:
37.81

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA5207265

Name:
N-[(1R,2R,4S)-bicyclo[2.2.1]heptan-2-yl]-2-chloro-6-(3,5-dichlorophenyl)quiShow More⌵

Mol. Formula:
C21H18Cl3N3

M.W.:
418.76

Type:
---

AlogP:
6.86

Polar Surface Area:
37.81

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA5195699

Name:
N-[4-(4-{[(1R,2R,4S)-bicyclo[2.2.1]heptan-2-yl]amino}-2-methylquinazolin-6-Show More⌵

Mol. Formula:
C23H26N4O2S

M.W.:
422.55

Type:
---

AlogP:
4.58

Polar Surface Area:
83.98

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA5193733

Name:
N-[(1R,2R,4S)-bicyclo[2.2.1]heptan-2-yl]-2-chloro-6-(3,4-dichlorophenyl)quiShow More⌵

Mol. Formula:
C21H18Cl3N3

M.W.:
418.76

Type:
---

AlogP:
6.86

Polar Surface Area:
37.81

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA5188066

Name:
N-[(1R,2R,4S)-bicyclo[2.2.1]heptan-2-yl]-6-(3,4-dichlorophenyl)-2-methylquiShow More⌵

Mol. Formula:
C22H21Cl2N3

M.W.:
398.34

Type:
---

AlogP:
6.51

Polar Surface Area:
37.81

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA5187574

Name:
N-[(1R,2R,4S)-bicyclo[2.2.1]heptan-2-yl]-2-chloro-6-(4-fluorophenyl)quinazoShow More⌵

Mol. Formula:
C21H19ClFN3

M.W.:
367.86

Type:
---

AlogP:
5.69

Polar Surface Area:
37.81

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA5186902

Name:
N-[(1R,2R,4S)-bicyclo[2.2.1]heptan-2-yl]-6-(2-chlorophenyl)-2-methylquinazoShow More⌵

Mol. Formula:
C22H22ClN3

M.W.:
363.89

Type:
---

AlogP:
5.86

Polar Surface Area:
37.81

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA5185974

Name:
N-[(1R,2R,4S)-bicyclo[2.2.1]heptan-2-yl]-6-(3,5-dichlorophenyl)-2-methylquiShow More⌵

Mol. Formula:
C22H21Cl2N3

M.W.:
398.34

Type:
---

AlogP:
6.51

Polar Surface Area:
37.81

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA5183971

Name:
N-[(1R,2R,4S)-bicyclo[2.2.1]heptan-2-yl]-2-chloro-6-(4-chlorophenyl)quinazoShow More⌵

Mol. Formula:
C21H19Cl2N3

M.W.:
384.31

6 activity values

3 unique targets

Type:
---

AlogP:
6.20

Polar Surface Area:
37.81

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA5170235

Name:
N-[(1R,2R,4S)-bicyclo[2.2.1]heptan-2-yl]-2-chloro-6-[3-(trifluoromethyl)pheShow More⌵

Mol. Formula:
C22H19ClF3N3

M.W.:
417.86

Type:
---

AlogP:
6.57

Polar Surface Area:
37.81

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA5169533

Name:
N-[(1R,2R,4S)-bicyclo[2.2.1]heptan-2-yl]-6-(3-chlorophenyl)-2-methylquinazoShow More⌵

Mol. Formula:
C22H22ClN3

M.W.:
363.89

Type:
---

AlogP:
5.86

Polar Surface Area:
37.81

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA4785671

Name:
(4R,7R,10S,13S)-13-((S)-2-((6S,9R,12S,15S,18S,21S)-21-((1H-imidazol-5-yl)meShow More⌵

Mol. Formula:
C73H114N26O23S4

M.W.:
1852.14

4 activity values

4 unique targets

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4762233

Name:
(6S,9R,12S,15S,18S)-1-amino-18-((S)-1-((S)-2-((S)-1-((2S,3S)-1-((R)-1-aminoShow More⌵

Mol. Formula:
C75H115N25O25S4

M.W.:
1895.16

4 activity values

4 unique targets

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

(+)-BHFF

Name:
(+)-5,7-di-tert-butyl-3-hydroxy-3-trifluoromethyl-3H-benzofuran-2-one

Mol. Formula:
C17H21F3O3

M.W.:
330.35

Type:
Small molecule

AlogP:
3.95

Polar Surface Area:
46.53

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA3600958

Name:
6-chloro-N-cyclopentyl-2-(methylthio)-5-(trifluoromethyl)pyrimidin-4-amine

Mol. Formula:
C11H13ClF3N3S

M.W.:
311.76

Type:
Small molecule

AlogP:
4.23

Polar Surface Area:
37.81

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA3600561

Name:
N4,N6-dicyclopentyl-2-(methylthio)-5-(trifluoromethyl)pyrimidine-4,6-diaminShow More⌵

Mol. Formula:
C16H23F3N4S

M.W.:
360.45