Compounds

Type:
Small molecule

AlogP:
2.65

Polar Surface Area:
69.56

HBA:
2

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA454997

Name:
(R)-N-benzyl(phenyl)(phosphono)methanaminium chloride

Mol. Formula:
C14H17ClNO3P

M.W.:
313.72

Type:
Small molecule

AlogP:
2.65

Polar Surface Area:
69.56

HBA:
2

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA498632

Name:
(+/-)-rac-alpha-(N-benzylamino)benzylphosphonic acid

Mol. Formula:
C14H16NO3P

M.W.:
277.26

Type:
Small molecule

AlogP:
2.65

Polar Surface Area:
69.56

HBA:
2

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA507996

Name:
(R)-N-((S)-(4-methoxyphenyl)(phosphono)methyl)-1-phenylethanaminium chloridShow More⌵

Mol. Formula:
C16H21ClNO4P

M.W.:
357.77

Type:
Small molecule

AlogP:
3.22

Polar Surface Area:
78.79

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA524506

Name:
(S)-N-((R)-(4-methoxyphenyl)(phosphono)methyl)-1-phenylethanaminium chloridShow More⌵

Mol. Formula:
C16H21ClNO4P

M.W.:
357.77

Type:
Small molecule

AlogP:
3.22

Polar Surface Area:
78.79

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA501717

Name:
(R)-1-phenyl-N-((S)-phenyl(phosphono)methyl)ethanaminium chloride

Mol. Formula:
C15H19ClNO3P

M.W.:
327.75

Type:
Small molecule

AlogP:
3.21

Polar Surface Area:
69.56

HBA:
2

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA501710

Name:
(S)-1-phenyl-N-((R)-phenyl(phosphono)methyl)ethanaminium chloride

Mol. Formula:
C15H19ClNO3P

M.W.:
327.75

Type:
Small molecule

AlogP:
3.21

Polar Surface Area:
69.56

HBA:
2

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA107374

Name:
[Phenyl-(3-trifluoromethyl-phenyl)-methyl]-phosphonic acid

Mol. Formula:
C14H12F3O3P

M.W.:
316.21

Type:
Small molecule

AlogP:
3.97

Polar Surface Area:
57.53

HBA:
1

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA325368

Name:
(5H-Dibenzo[a,d]cyclohepten-5-yl)-phosphonic acid

Mol. Formula:
C15H13O3P

M.W.:
272.24

Type:
Small molecule

AlogP:
3.44

Polar Surface Area:
57.53

HBA:
1

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA107422

Name:
(10,11-Dihydro-5H-dibenzo[a,d]cyclohepten-5-yl)-phosphonic acid

Mol. Formula:
C15H15O3P

M.W.:
274.26

Type:
Small molecule

AlogP:
3.05

Polar Surface Area:
57.53

HBA:
1

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA107858

Name:
[2-Biphenyl-4-yl-1-(3-trifluoromethyl-phenyl)-ethyl]-phosphonic acid

Mol. Formula:
C21H18F3O3P

M.W.:
406.34

Type:
Small molecule

AlogP:
5.83

Polar Surface Area:
57.53

HBA:
1

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA107792

Name:
(Phenyl-o-tolyl-methyl)-phosphonic acid

Mol. Formula:
C14H15O3P

M.W.:
262.25

Type:
Small molecule

AlogP:
3.26

Polar Surface Area:
57.53

HBA:
1

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA107463

Name:
(2-Biphenyl-4-yl-1-phenyl-ethyl)-phosphonic acid

Mol. Formula:
C20H19O3P

M.W.:
338.34

Type:
Small molecule

AlogP:
4.82

Polar Surface Area:
57.53

HBA:
1

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA106688

Name:
(9H-Xanthen-9-yl)-phosphonic acid

Mol. Formula:
C13H11O4P

M.W.:
262.20

Type:
Small molecule

AlogP:
3.06

Polar Surface Area:
66.76

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA322700

Name:
[(3-Nitro-phenyl)-phenyl-methyl]-phosphonic acid

Mol. Formula:
C13H12NO5P

M.W.:
293.22

Type:
Small molecule

AlogP:
2.86

Polar Surface Area:
100.67

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA104341

Name:
(9H-Thioxanthen-9-yl)-phosphonic acid

Mol. Formula:
C13H11O3PS

M.W.:
278.27

Type:
Small molecule

AlogP:
3.42

Polar Surface Area:
57.53

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA104125

Name:
[(3-Chloro-phenyl)-phenyl-methyl]-phosphonic acid

Mol. Formula:
C13H12ClO3P

M.W.:
282.66

Type:
Small molecule

AlogP:
3.61

Polar Surface Area:
57.53

HBA:
1

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA106215

Name:
(1,3-Diphenyl-propyl)-phosphonic acid

Mol. Formula:
C15H17O3P

M.W.:
276.27

Type:
Small molecule

AlogP:
3.54

Polar Surface Area:
57.53

HBA:
1

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

Benzhydrylphosphonic Acid

Name:
Benzhydryl-phosphonic acid

Mol. Formula:
C13H13O3P

M.W.:
248.22

Type:
Small molecule

AlogP:
2.95

Polar Surface Area:
57.53

HBA:
1

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
Y

QED Weighted:
0.82

DETAILS

ALA105772

Name:
(9H-Fluoren-9-yl)-phosphonic acid

Mol. Formula:
C13H11O3P

M.W.:
246.20