Compounds

ALA2270190

Name:
3-Ethyl-2-methoxy-3,4-dihydro-benzo[e][1,3,2]oxazaphosphinine 2-sulfide

Mol. Formula:
C10H14NO2PS

M.W.:
243.27

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.77

Polar Surface Area:
21.70

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.74

DETAILS

ALA2270189

Name:
2-Ethoxy-3-isopropyl-6-nitro-3,4-dihydro-benzo[e][1,3,2]oxazaphosphinine 2-Show More⌵

Mol. Formula:
C12H17N2O4PS

M.W.:
316.32

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.46

Polar Surface Area:
64.84

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA2270188

Name:
3-Ethyl-6-nitro-2-propoxy-3,4-dihydro-benzo[e][1,3,2]oxazaphosphinine 2-sulShow More⌵

Mol. Formula:
C12H17N2O4PS

M.W.:
316.32

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.46

Polar Surface Area:
64.84

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA2270187

Name:
2-Ethoxy-3-ethyl-6-nitro-3,4-dihydro-benzo[e][1,3,2]oxazaphosphinine 2-sulfShow More⌵

Mol. Formula:
C11H15N2O4PS

M.W.:
302.29

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.07

Polar Surface Area:
64.84

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA2270186

Name:
3-Ethyl-2-methoxy-6-nitro-3,4-dihydro-benzo[e][1,3,2]oxazaphosphinine 2-sulShow More⌵

Mol. Formula:
C10H13N2O4PS

M.W.:
288.26

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.68

Polar Surface Area:
64.84

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA2270185

Name:
6,7-Dibromo-2-ethoxy-3-isopropyl-3,4-dihydro-benzo[e][1,3,2]oxazaphosphininShow More⌵

Mol. Formula:
C12H16Br2NO2PS

M.W.:
429.11

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.08

Polar Surface Area:
21.70

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA2270184

Name:
6-Bromo-3-isobutyl-2-propoxy-3,4-dihydro-benzo[e][1,3,2]oxazaphosphinine 2-Show More⌵

Mol. Formula:
C14H21BrNO2PS

M.W.:
378.27

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.95

Polar Surface Area:
21.70

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA2270183

Name:
6-Bromo-2-ethoxy-3-isobutyl-3,4-dihydro-benzo[e][1,3,2]oxazaphosphinine 2-sShow More⌵

Mol. Formula:
C13H19BrNO2PS

M.W.:
364.25

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.56

Polar Surface Area:
21.70

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA2270182

Name:
6-Bromo-3-isobutyl-2-methoxy-3,4-dihydro-benzo[e][1,3,2]oxazaphosphinine 2-Show More⌵

Mol. Formula:
C12H17BrNO2PS

M.W.:
350.22

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.17

Polar Surface Area:
21.70

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA2270181

Name:
3-Allyl-6-bromo-2-propoxy-3,4-dihydro-benzo[e][1,3,2]oxazaphosphinine 2-sulShow More⌵

Mol. Formula:
C13H17BrNO2PS

M.W.:
362.23

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.48

Polar Surface Area:
21.70

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA2270180

Name:
3-Allyl-6-bromo-2-ethoxy-3,4-dihydro-benzo[e][1,3,2]oxazaphosphinine 2-sulfShow More⌵

Mol. Formula:
C12H15BrNO2PS

M.W.:
348.20

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.09

Polar Surface Area:
21.70

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA2270179

Name:
3-Allyl-6-bromo-2-methoxy-3,4-dihydro-benzo[e][1,3,2]oxazaphosphinine 2-sulShow More⌵

Mol. Formula:
C11H13BrNO2PS

M.W.:
334.18

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.70

Polar Surface Area:
21.70

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA2270178

Name:
6-Bromo-2-ethoxy-3-isopropyl-3,4-dihydro-benzo[e][1,3,2]oxazaphosphinine 2-Show More⌵

Mol. Formula:
C12H17BrNO2PS

M.W.:
350.22

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.31

Polar Surface Area:
21.70

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA2270177

Name:
6-Bromo-3-isopropyl-2-methoxy-3,4-dihydro-benzo[e][1,3,2]oxazaphosphinine 2Show More⌵

Mol. Formula:
C11H15BrNO2PS

M.W.:
336.19

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.92

Polar Surface Area:
21.70

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA2270176

Name:
6-Bromo-2-ethoxy-3-ethyl-3,4-dihydro-benzo[e][1,3,2]oxazaphosphinine 2-sulfShow More⌵

Mol. Formula:
C11H15BrNO2PS

M.W.:
336.19

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.92

Polar Surface Area:
21.70

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA2270175

Name:
6,7-Dichloro-3-isobutyl-2-propoxy-3,4-dihydro-benzo[e][1,3,2]oxazaphosphiniShow More⌵

Mol. Formula:
C14H20Cl2NO2PS

M.W.:
368.27

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.49

Polar Surface Area:
21.70

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA2270174

Name:
6,7-Dichloro-2-ethoxy-3-isobutyl-3,4-dihydro-benzo[e][1,3,2]oxazaphosphininShow More⌵

Mol. Formula:
C13H18Cl2NO2PS

M.W.:
354.24

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.10

Polar Surface Area:
21.70

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA2270173

Name:
6-Chloro-3-isobutyl-2-propoxy-3,4-dihydro-benzo[e][1,3,2]oxazaphosphinine 2Show More⌵

Mol. Formula:
C14H21ClNO2PS

M.W.:
333.82

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.84

Polar Surface Area:
21.70

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA2270172

Name:
6-Chloro-2-ethoxy-3-isobutyl-3,4-dihydro-benzo[e][1,3,2]oxazaphosphinine 2-Show More⌵

Mol. Formula:
C13H19ClNO2PS

M.W.:
319.79

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.45

Polar Surface Area:
21.70

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA2270171

Name:
3-Allyl-6-chloro-2-propoxy-3,4-dihydro-benzo[e][1,3,2]oxazaphosphinine 2-suShow More⌵

Mol. Formula:
C13H17ClNO2PS

M.W.:
317.78

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.37

Polar Surface Area:
21.70

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.59

DETAILS