Compounds

Type:
Small molecule

AlogP:
5.50

Polar Surface Area:
66.61

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA3640617

Name:
US8575375, B-5

Mol. Formula:
C20H34OS

M.W.:
322.56

Type:
Small molecule

AlogP:
5.12

Polar Surface Area:
20.23

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA3640616

Name:
US8575375, A2-B

Mol. Formula:
C20H33NO3

M.W.:
335.49

Type:
Small molecule

AlogP:
4.43

Polar Surface Area:
63.37

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA3640615

Name:
US8575375, A2-A

Mol. Formula:
C19H31NO3

M.W.:
321.46

Type:
Small molecule

AlogP:
4.04

Polar Surface Area:
63.37

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA112019

Name:
(3-Amino-2-hydroxy-propyl)-cyclohexylmethyl-phosphinic acid

Mol. Formula:
C10H22NO3P

M.W.:
235.26

Type:
Small molecule

AlogP:
1.16

Polar Surface Area:
83.55

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA113435

Name:
((S)-3-Amino-2-hydroxy-propyl)-cyclohexylmethyl-phosphinic acid

Mol. Formula:
C10H22NO3P

M.W.:
235.26

Type:
Small molecule

AlogP:
1.16

Polar Surface Area:
83.55

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA113308

Name:
((R)-3-Amino-2-hydroxy-propyl)-cyclohexylmethyl-phosphinic acid

Mol. Formula:
C10H22NO3P

M.W.:
235.26

Type:
Small molecule

AlogP:
1.16

Polar Surface Area:
83.55

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA114288

Name:
((R)-3-Amino-2-hydroxy-propyl)-benzyl-phosphinic acid

Mol. Formula:
C10H16NO3P

M.W.:
229.22

Type:
Small molecule

AlogP:
0.78

Polar Surface Area:
83.55

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA323887

Name:
(3-Amino-propyl)-isobutyl-phosphinic acid

Mol. Formula:
C7H18NO2P

M.W.:
179.20

Type:
Small molecule

AlogP:
1.26

Polar Surface Area:
63.32

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA111890

Name:
(3-Amino-propyl)-propyl-phosphinic acid

Mol. Formula:
C6H16NO2P

M.W.:
165.17

Type:
Small molecule

AlogP:
1.02

Polar Surface Area:
63.32

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA112460

Name:
(3-Amino-propyl)-(2-cyclohexyl-ethyl)-phosphinic acid

Mol. Formula:
C11H24NO2P

M.W.:
233.29

Type:
Small molecule

AlogP:
2.58

Polar Surface Area:
63.32

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA321688

Name:
[3-Amino-2-(4-chloro-phenyl)-2-hydroxy-propyl]-butyl-phosphinic acid

Mol. Formula:
C13H21ClNO3P

M.W.:
305.74

Type:
Small molecule

AlogP:
2.56

Polar Surface Area:
83.55

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA113305

Name:
[3-Amino-2-(4-chloro-phenyl)-2-hydroxy-propyl]-methyl-phosphinic acid

Mol. Formula:
C10H15ClNO3P

M.W.:
263.66

Type:
Small molecule

AlogP:
1.39

Polar Surface Area:
83.55

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA114812

Name:
[3-Amino-2-(4-chloro-phenyl)-propyl]-diethoxymethyl-phosphinic acid

Mol. Formula:
C14H23ClNO4P

M.W.:
335.77

Type:
Small molecule

AlogP:
3.01

Polar Surface Area:
81.78

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA115354

Name:
(3-Amino-2-hydroxy-propyl)-benzyl-phosphinic acid

Mol. Formula:
C10H16NO3P

M.W.:
229.22

Type:
Small molecule

AlogP:
0.78

Polar Surface Area:
83.55

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA114918

Name:
((S)-3-Amino-2-hydroxy-propyl)-benzyl-phosphinic acid

Mol. Formula:
C10H16NO3P

M.W.:
229.22

Type:
Small molecule

AlogP:
0.78

Polar Surface Area:
83.55

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA441821

Name:
(3-Amino-2-hydroxy-2-methyl-propyl)-butyl-phosphinic acid

Mol. Formula:
C8H20NO3P

M.W.:
209.23

Type:
Small molecule

AlogP:
0.77

Polar Surface Area:
83.55

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA114759

Name:
(3-Amino-2-oxo-propyl)-butyl-phosphinic acid

Mol. Formula:
C7H16NO3P

M.W.:
193.18