Compounds

Type:
Small molecule

AlogP:
6.19

Polar Surface Area:
48.12

HBA:
2

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA4128873

Name:
1,1'-(heptane-1,7-diyl)bis(3-(adamantan-1-yl)thiourea)

Mol. Formula:
C29H48N4S2

M.W.:
516.87

Type:
Small molecule

AlogP:
5.80

Polar Surface Area:
48.12

HBA:
2

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA4128756

Name:
1,1'-(hexane-1,6-diyl)bis(3-(adamantan-1-yl)thiourea)

Mol. Formula:
C28H46N4S2

M.W.:
502.84

Type:
Small molecule

AlogP:
5.41

Polar Surface Area:
48.12

HBA:
2

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA4127661

Name:
1-(adamantan-2-yl)-3-phenylthiourea

Mol. Formula:
C17H22N2S

M.W.:
286.44

Type:
Small molecule

AlogP:
3.80

Polar Surface Area:
24.06

HBA:
1

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA4127510

Name:
1,1'-(butane-1,4-diyl)bis(3-(adamantan-1-yl)thiourea)

Mol. Formula:
C26H42N4S2

M.W.:
474.78

Type:
Small molecule

AlogP:
4.63

Polar Surface Area:
48.12

HBA:
2

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4127364

Name:
1,1'-(pentane-1,5-diyl)bis(3-(adamantan-1-yl)thiourea)

Mol. Formula:
C27H44N4S2

M.W.:
488.81

Type:
Small molecule

AlogP:
5.02

Polar Surface Area:
48.12

HBA:
2

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA4127263

Name:
1-(adamantan-2-yl)-3-benzylthiourea

Mol. Formula:
C18H24N2S

M.W.:
300.47

Type:
Small molecule

AlogP:
3.48

Polar Surface Area:
24.06

HBA:
1

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA4126744

Name:
1,1'-(decane-1,10-diyl)bis(3-(adamantan-1-yl)thiourea)

Mol. Formula:
C32H54N4S2

M.W.:
558.95

Type:
Small molecule

AlogP:
6.97

Polar Surface Area:
48.12

HBA:
2

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA4126432

Name:
1-(adamantan-2-yl)-3-phenethylthiourea

Mol. Formula:
C19H26N2S

M.W.:
314.50

Type:
Small molecule

AlogP:
3.52

Polar Surface Area:
24.06

HBA:
1

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA4126127

Name:
1,1'-(propane-1,3-diyl)bis(3-(adamantan-1-yl)thiourea)

Mol. Formula:
C25H40N4S2

M.W.:
460.76

Type:
Small molecule

AlogP:
4.24

Polar Surface Area:
48.12

HBA:
2

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA3114618

Name:
4-(2-Chlorophenoxy)-N-[(1SR,2RS)-2-phenylcyclopropyl]piperidine-1-carboxamiShow More⌵

Mol. Formula:
C21H23ClN2O2

M.W.:
370.88

Type:
Small molecule

AlogP:
4.45

Polar Surface Area:
41.57

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA3114617

Name:
4-(Diphenylmethoxy)-N-[(1SR,2RS)-2-phenylcyclopropyl]piperidine-1-carboxamiShow More⌵

Mol. Formula:
C28H30N2O2

M.W.:
426.56

Type:
Small molecule

AlogP:
5.52

Polar Surface Area:
41.57

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA3114616

Name:
N-[(1SR,2RS)-2-Phenylcyclopropyl]-4-(pyrazin-2-yloxy)piperidine-1-carboxamiShow More⌵

Mol. Formula:
C19H22N4O2

M.W.:
338.41

Type:
Small molecule

AlogP:
2.59

Polar Surface Area:
67.35

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.93

DETAILS

ALA3114615

Name:
N-[(1SR,2RS)-2-Phenylcyclopropyl]-4-(pyrimidin-2-yloxy)piperidine-1-carboxaShow More⌵

Mol. Formula:
C19H22N4O2

M.W.:
338.41

Type:
Small molecule

AlogP:
2.59

Polar Surface Area:
67.35

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.93

DETAILS

ALA3114614

Name:
N-[(1SR,2RS)-2-Phenylcyclopropyl]-4-(pyridin-4-yloxy)piperidine-1-carboxamiShow More⌵

Mol. Formula:
C20H23N3O2

M.W.:
337.42

Type:
Small molecule

AlogP:
3.19

Polar Surface Area:
54.46

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.93

DETAILS

ALA3114613

Name:
N-[(1SR,2RS)-2-Phenylcyclopropyl]-4-(pyridin-3-yloxy)piperidine-1-carboxamiShow More⌵

Mol. Formula:
C20H23N3O2

M.W.:
337.42

Type:
Small molecule

AlogP:
3.19

Polar Surface Area:
54.46

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.93

DETAILS

ALA3114612

Name:
N-[(1SR,2RS)-2-Phenylcyclopropyl]-4-(pyridin-2-yloxy)piperidine-1-carboxamiShow More⌵

Mol. Formula:
C20H23N3O2

M.W.:
337.42

Type:
Small molecule

AlogP:
3.19

Polar Surface Area:
54.46

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.93

DETAILS

ALA3114611

Name:
4-Phenoxy-N-[(1SR,2RS)-2-phenylcyclopropyl]piperidine-1-carboxamide

Mol. Formula:
C21H24N2O2

M.W.:
336.44

Type:
Small molecule

AlogP:
3.80

Polar Surface Area:
41.57

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.92

DETAILS

ALA3114603

Name:
4-(Biphenyl-4-yloxy)-N-[(1SR,2RS)-2-phenylcyclopropyl]piperidine-1-carboxamShow More⌵

Mol. Formula:
C27H28N2O2

M.W.:
412.53

Type:
Small molecule

AlogP:
5.46

Polar Surface Area:
41.57

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA3114602

Name:
4-(Biphenyl-3-yloxy)-N-[(1SR,2RS)-2-phenylcyclopropyl]piperidine-1-carboxamShow More⌵

Mol. Formula:
C27H28N2O2

M.W.:
412.53