Compounds

Type:
Small molecule

AlogP:
6.68

Polar Surface Area:
64.92

HBA:
3

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA2426356

Name:
(1S,3R)-N-(3,5-bis(trifluoromethyl)benzyl)-1-isopropyl-3-(6-methyl-2,3-dihyShow More⌵

Mol. Formula:
C28H32F6N2O

M.W.:
526.57

Type:
Small molecule

AlogP:
7.12

Polar Surface Area:
41.13

HBA:
2

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA2426355

Name:
(1S,3R)-N-(3,5-bis(trifluoromethyl)benzyl)-3-(6-chloro-2,3-dihydro-1H-indenShow More⌵

Mol. Formula:
C27H29ClF6N2O

M.W.:
546.98

Type:
Small molecule

AlogP:
7.47

Polar Surface Area:
41.13

HBA:
2

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA2426354

Name:
(1S,3R)-N-(3,5-bis(trifluoromethyl)benzyl)-3-(5-chloro-2,3-dihydro-1H-indenShow More⌵

Mol. Formula:
C27H29ClF6N2O

M.W.:
546.98

3 activity values

Type:
Small molecule

AlogP:
7.47

Polar Surface Area:
41.13

HBA:
2

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA2426353

Name:
(1S,3R)-N-(3,5-bis(trifluoromethyl)benzyl)-3-(5-fluoro-2,3-dihydro-1H-indenShow More⌵

Mol. Formula:
C27H29F7N2O

M.W.:
530.53

Type:
Small molecule

AlogP:
6.95

Polar Surface Area:
41.13

HBA:
2

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA2426352

Name:
(1S,3R)-N-(3,5-bis(trifluoromethyl)benzyl)-3-(5-hydroxy-2,3-dihydro-1H-indeShow More⌵

Mol. Formula:
C27H30F6N2O2

M.W.:
528.54

Type:
Small molecule

AlogP:
6.52

Polar Surface Area:
61.36

HBA:
3

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA2426351

Name:
(1S,3R)-N-(3,5-bis(trifluoromethyl)benzyl)-1-isopropyl-3-(5-methoxy-2,3-dihShow More⌵

Mol. Formula:
C28H32F6N2O2

M.W.:
542.56

Type:
Small molecule

AlogP:
6.82

Polar Surface Area:
50.36

HBA:
3

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA2426350

Name:
(1S,3R)-N-(3,5-bis(trifluoromethyl)benzyl)-1-isopropyl-3-(4-methoxy-2,3-dihShow More⌵

Mol. Formula:
C28H32F6N2O2

M.W.:
542.56

Type:
Small molecule

AlogP:
6.82

Polar Surface Area:
50.36

HBA:
3

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA2426349

Name:
(1S,3R)-N-(3,5-bis(trifluoromethyl)benzyl)-1-isopropyl-3-(4-methyl-2,3-dihyShow More⌵

Mol. Formula:
C28H32F6N2O

M.W.:
526.57

Type:
Small molecule

AlogP:
7.12

Polar Surface Area:
41.13

HBA:
2

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA2426348

Name:
(1S,3R)-N-(3,5-bis(trifluoromethyl)benzyl)-3-(4-cyano-2,3-dihydro-1H-inden-Show More⌵

Mol. Formula:
C28H29F6N3O

M.W.:
537.55

Type:
Small molecule

AlogP:
6.68

Polar Surface Area:
64.92

HBA:
3

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA2426347

Name:
(1S,3R)-N-(3,5-bis(trifluoromethyl)benzyl)-3-(4-hydroxy-2,3-dihydro-1H-indeShow More⌵

Mol. Formula:
C27H30F6N2O2

M.W.:
528.54

Type:
Small molecule

AlogP:
6.52

Polar Surface Area:
61.36

HBA:
3

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA2426346

Name:
(1S,3R)-3-(4-amino-2,3-dihydro-1H-inden-1-ylamino)-N-(3,5-bis(trifluoromethShow More⌵

Mol. Formula:
C27H31F6N3O

M.W.:
527.55

Type:
Small molecule

AlogP:
6.39

Polar Surface Area:
67.15

HBA:
3

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA2426345

Name:
(1S,3R)-N-(3,5-bis(trifluoromethyl)benzyl)-1-isopropyl-3-(1,2,3,4-tetrahydrShow More⌵

Mol. Formula:
C28H32F6N2O

M.W.:
526.57

3 activity values

Type:
Small molecule

AlogP:
7.20

Polar Surface Area:
41.13

HBA:
2

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA2426344

Name:
(1S,3R)-N-(3,5-bis(trifluoromethyl)benzyl)-1-isopropyl-3-((3-phenylpropyl)aShow More⌵

Mol. Formula:
C27H32F6N2O

M.W.:
514.55

Type:
Small molecule

AlogP:
6.76

Polar Surface Area:
41.13

HBA:
2

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA2426343

Name:
(1S,3R)-N-(3,5-bis(trifluoromethyl)benzyl)-1-isopropyl-3-(phenethylamino)cyShow More⌵

Mol. Formula:
C26H30F6N2O

M.W.:
500.53

Type:
Small molecule

AlogP:
6.37

Polar Surface Area:
41.13

HBA:
2

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA2426342

Name:
(1S,3R)-3-(Benzylamino)-N-(3,5-bis(trifluoromethyl)benzyl)-1-isopropylcycloShow More⌵

Mol. Formula:
C25H28F6N2O

M.W.:
486.50

Type:
Small molecule

AlogP:
6.33

Polar Surface Area:
41.13

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA2426341

Name:
N-(2-((3S,4S)-1-(4-(benzo[d][1,3]dioxol-5-yl)-4-hydroxycyclohexyl)-4-ethoxyShow More⌵

Mol. Formula:
C29H34F3N3O6

M.W.:
577.60

Type:
Small molecule

AlogP:
3.20

Polar Surface Area:
109.36

HBA:
7

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA2426340

Name:
(1S,3R)-N-(3,5-Bis(trifluoromethyl)-benzyl)-3-((5-bromo-2,3-dihydro-1H-indeShow More⌵

Mol. Formula:
C27H29BrF6N2O

M.W.:
591.43

7 activity values

Type:
Small molecule

AlogP:
7.57

Polar Surface Area:
41.13

HBA:
2

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA2426339

Name:
5-((1R,3S)-3-(3,5-bis(trifluoromethyl)benzylcarbamoyl)-3-isopropylcyclopentShow More⌵

Mol. Formula:
C29H32F6N2O3

M.W.:
570.57