Compounds

Type:
Small molecule

AlogP:
2.67

Polar Surface Area:
26.33

HBA:
1

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA3277088

Name:
N-allyl-N-cyclohexenyl-P,P-bis(2-methylaziridin-1-
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Mol. Formula:
C15H26N3OP

M.W.:
295.37

2 activity values

Type:
Small molecule

AlogP:
3.45

Polar Surface Area:
26.33

HBA:
1

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA2289298

Name:
5-(4-Chloro-phenyl)-2-methoxy-[1,3,2]oxazaphosphol
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Mol. Formula:
C9H11ClNO2PS

M.W.:
263.69

Type:
Small molecule

AlogP:
2.87

Polar Surface Area:
30.49

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.83

DETAILS

ALA2289297

Name:
5-(3-Chloro-phenyl)-2-methoxy-[1,3,2]oxazaphosphol
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Mol. Formula:
C9H11ClNO2PS

M.W.:
263.69

Type:
Small molecule

AlogP:
2.87

Polar Surface Area:
30.49

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.83

DETAILS

ALA2289296

Name:
5-(2-Chloro-phenyl)-2-methoxy-[1,3,2]oxazaphosphol
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Mol. Formula:
C9H11ClNO2PS

M.W.:
263.69

Type:
Small molecule

AlogP:
2.87

Polar Surface Area:
30.49

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.83

DETAILS

ALA2289295

Name:
5-(4-Bromo-phenyl)-2-methoxy-[1,3,2]oxazaphospholi
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Mol. Formula:
C9H11BrNO2PS

M.W.:
308.14

Type:
Small molecule

AlogP:
2.98

Polar Surface Area:
30.49

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA2289293

Name:
5-(3-Bromo-phenyl)-2-methoxy-[1,3,2]oxazaphospholi
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Mol. Formula:
C9H11BrNO2PS

M.W.:
308.14

Type:
Small molecule

AlogP:
2.98

Polar Surface Area:
30.49

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA2289292

Name:
5-(2-Bromo-phenyl)-2-methoxy-[1,3,2]oxazaphospholi
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Mol. Formula:
C9H11BrNO2PS

M.W.:
308.14

Type:
Small molecule

AlogP:
2.98

Polar Surface Area:
30.49

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA2289274

Name:
2-Methoxy-5-phenyl-[1,3,2]oxazaphospholidine 2-sul
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Cas Number:
124601-37-2

Mol. Formula:
C9H12NO2PS

M.W.:
229.24

Type:
Small molecule

AlogP:
2.22

Polar Surface Area:
30.49

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.79

DETAILS

ALA2289273

Name:
5-(4-Isopropyl-phenyl)-2-methoxy-[1,3,2]oxazaphosp
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Mol. Formula:
C12H18NO2PS

M.W.:
271.32

Type:
Small molecule

AlogP:
3.34

Polar Surface Area:
30.49

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA2289272

Name:
5-(4-Ethyl-phenyl)-2-methoxy-[1,3,2]oxazaphospholi
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Mol. Formula:
C11H16NO2PS

M.W.:
257.30

Type:
Small molecule

AlogP:
2.78

Polar Surface Area:
30.49

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
Y

QED Weighted:
0.84

DETAILS

ALA2289266

Name:
2-Methoxy-5-p-tolyl-[1,3,2]oxazaphospholidine 2-su
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Mol. Formula:
C10H14NO2PS

M.W.:
243.27

Type:
Small molecule

AlogP:
2.53

Polar Surface Area:
30.49

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.81

DETAILS

ALA2289256

Name:
5-(4-Fluoro-phenyl)-2-methoxy-[1,3,2]oxazaphosphol
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Mol. Formula:
C9H11FNO2PS

M.W.:
247.23

Type:
Small molecule

AlogP:
2.36

Polar Surface Area:
30.49

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.81

DETAILS

ALA2289255

Name:
5-(3-Fluoro-phenyl)-2-methoxy-[1,3,2]oxazaphosphol
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Mol. Formula:
C9H11FNO2PS

M.W.:
247.23

Type:
Small molecule

AlogP:
2.36

Polar Surface Area:
30.49

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.81

DETAILS

ALA2289253

Name:
5-(2-Fluoro-phenyl)-2-methoxy-[1,3,2]oxazaphosphol
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Mol. Formula:
C9H11FNO2PS

M.W.:
247.23

Type:
Small molecule

AlogP:
2.36

Polar Surface Area:
30.49

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.81

DETAILS

ALA2289019

Name:
2-Methoxy-5-(3-methoxy-phenyl)-[1,3,2]oxazaphospho
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Mol. Formula:
C10H14NO3PS

M.W.:
259.27

Type:
Small molecule

AlogP:
2.23

Polar Surface Area:
39.72

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA2288239

Name:
(+/-)-rel-(1S,3aS,4R,6aR)-4-(2,6-dimethoxyphenoxy)
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Mol. Formula:
C26H34O10

M.W.:
506.55

Type:
Small molecule

AlogP:
2.61

Polar Surface Area:
103.30

HBA:
10

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA2288238

Name:
(+/-)-rel-(1S,3aS,4R,6aR)-4-(2,6-dimethoxyphenoxy)
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Mol. Formula:
C24H30O9

M.W.:
462.50

Type:
Small molecule

AlogP:
2.59

Polar Surface Area:
94.07

HBA:
9

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA2288237

Name:
(+/-)-rel-(1S,3aS,4S,6aR)-4-(2,6-dimethoxyphenoxy)
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Mol. Formula:
C24H30O9

M.W.:
462.50

Type:
Small molecule

AlogP:
2.59

Polar Surface Area:
94.07

HBA:
9

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA2288236

Name:
(+/-)-rel-(1S,3aS,4S,6aR)-4-(2,6-dimethoxyphenoxy)
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Mol. Formula:
C21H24O8

M.W.:
404.42