Compounds

ALA2115284

Name:
Phosphoric acid isopropyl ester methyl ester 4-nit
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Mol. Formula:
C10H14NO6P

M.W.:
275.20

5 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.15

Polar Surface Area:
87.90

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA2115283

Name:
Phosphoric acid ethyl ester isopropyl ester 4-nitr
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Mol. Formula:
C11H16NO6P

M.W.:
289.22

5 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.54

Polar Surface Area:
87.90

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA2115282

Name:
Phosphoric acid ethyl ester methyl ester 4-nitro-p
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Mol. Formula:
C9H12NO6P

M.W.:
261.17

5 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.76

Polar Surface Area:
87.90

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA2115281

Name:
Phosphoric acid methyl ester 4-nitro-phenyl ester
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Mol. Formula:
C13H12NO6P

M.W.:
309.21

5 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.81

Polar Surface Area:
87.90

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA2115280

Name:
Phosphoric acid isopropyl ester 4-nitro-phenyl est
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Mol. Formula:
C15H16NO6P

M.W.:
337.27

5 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.59

Polar Surface Area:
87.90

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA2115279

Name:
Phosphoric acid ethyl ester 4-nitro-phenyl ester p
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Mol. Formula:
C14H14NO6P

M.W.:
323.24

5 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.20

Polar Surface Area:
87.90

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA2114317

Name:
Phosphoric acid isopropyl ester methyl ester 4-nit
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Mol. Formula:
C10H14NO6P

M.W.:
275.20

5 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.15

Polar Surface Area:
87.90

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA2114316

Name:
Phosphoric acid ethyl ester isopropyl ester 4-nitr
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Mol. Formula:
C11H16NO6P

M.W.:
289.22

5 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.54

Polar Surface Area:
87.90

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA2114315

Name:
Phosphoric acid ethyl ester methyl ester 4-nitro-p
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Mol. Formula:
C9H12NO6P

M.W.:
261.17

5 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.76

Polar Surface Area:
87.90

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA2114313

Name:
Phosphoric acid methyl ester 4-nitro-phenyl ester
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Mol. Formula:
C13H12NO6P

M.W.:
309.21

5 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.81

Polar Surface Area:
87.90

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA2114312

Name:
Phosphoric acid isopropyl ester 4-nitro-phenyl est
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Mol. Formula:
C15H16NO6P

M.W.:
337.27

5 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.59

Polar Surface Area:
87.90

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA2114311

Name:
Phosphoric acid ethyl ester 4-nitro-phenyl ester p
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Mol. Formula:
C14H14NO6P

M.W.:
323.24

5 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.20

Polar Surface Area:
87.90

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA278353

Name:
Phosphoric acid 4-nitro-phenyl ester diphenyl este
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Cas Number:
10359-36-1

Mol. Formula:
C18H14NO6P

M.W.:
371.29

5 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.24

Polar Surface Area:
87.90

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA23837

Name:
Phosphoric acid diisopropyl ester 4-nitro-phenyl e
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Cas Number:
3254-66-8

Mol. Formula:
C12H18NO6P

M.W.:
303.25

5 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.93

Polar Surface Area:
87.90

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.43

DETAILS