Compounds

ALA2289299

Name:
5-(2,3-Dichloro-phenyl)-2-methoxy-[1,3,2]oxazaphospholidine 2-sulfide

Mol. Formula:
C9H10Cl2NO2PS

M.W.:
298.13

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.53

Polar Surface Area:
30.49

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA2289294

Name:
5-(3-Bromo-phenyl)-2-methoxy-5-methyl-[1,3,2]oxazaphospholidine 2-sulfide

Mol. Formula:
C10H13BrNO2PS

M.W.:
322.16

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.16

Polar Surface Area:
30.49

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA2289291

Name:
5'-methoxy-1,3-dihydrospiro[indene-2,2'-[1,4,5{5}]oxazaphospholidine]-5'-thShow More⌵

Mol. Formula:
C11H14NO2PS

M.W.:
255.28

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.01

Polar Surface Area:
30.49

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.78

DETAILS

ALA2289290

Name:
5'-methoxy-3,4-dihydro-2H-spiro[naphthalene-1,2'-[1,4,5{5}]oxazaphospholidiShow More⌵

Mol. Formula:
C12H16NO2PS

M.W.:
269.31

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.71

Polar Surface Area:
30.49

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.79

DETAILS

ALA2289289

Name:
5'-methoxy-3,3-dimethylspiro[bicyclo[2.2.1]heptane-2,2'-[1,4,5{5}]oxazaphosShow More⌵

Mol. Formula:
C11H20NO2PS

M.W.:
261.33

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.67

Polar Surface Area:
30.49

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.74

DETAILS

ALA2289288

Name:
5'-methoxy-1,7,7-trimethylspiro[bicyclo[2.2.1]heptane-2,2'-[1,4,5{5}]oxazapShow More⌵

Mol. Formula:
C12H22NO2PS

M.W.:
275.35

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.06

Polar Surface Area:
30.49

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA2289287

Name:
2-Methoxy-7-methyl-1-oxa-3-aza-2-phospha-spiro[4.5]decane 2-sulfide

Mol. Formula:
C9H18NO2PS

M.W.:
235.29

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.43

Polar Surface Area:
30.49

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.71

DETAILS

ALA2289286

Name:
2-Methoxy-1-oxa-3-aza-2-phospha-spiro[4.5]decane 2-sulfide

Mol. Formula:
C8H16NO2PS

M.W.:
221.26

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.18

Polar Surface Area:
30.49

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.69

DETAILS

ALA2289285

Name:
5-Cyclohexyl-2-methoxy-[1,3,2]oxazaphospholidine 2-sulfide

Mol. Formula:
C9H18NO2PS

M.W.:
235.29

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.43

Polar Surface Area:
30.49

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.74

DETAILS

ALA2289284

Name:
5-Cyclohex-3-enyl-2-methoxy-[1,3,2]oxazaphospholidine 2-sulfide

Mol. Formula:
C9H16NO2PS

M.W.:
233.27

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.20

Polar Surface Area:
30.49

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.58

DETAILS

ALA2285710

Name:
2-Methoxy-5-naphthalen-2-yl-[1,3,2]oxazaphospholidine 2-sulfide

Mol. Formula:
C13H14NO2PS

M.W.:
279.30

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.37

Polar Surface Area:
30.49

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA2289283

Name:
2-Methoxy-5-methyl-5-naphthalen-1-yl-[1,3,2]oxazaphospholidine 2-sulfide

Mol. Formula:
C14H16NO2PS

M.W.:
293.33

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.55

Polar Surface Area:
30.49

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA2289282

Name:
2-Methoxy-5-naphthalen-1-yl-[1,3,2]oxazaphospholidine 2-sulfide

Mol. Formula:
C13H14NO2PS

M.W.:
279.30

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.37

Polar Surface Area:
30.49

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA2289281

Name:
2-Methoxy-5-(1-phenyl-ethyl)-[1,3,2]oxazaphospholidine 2-sulfide

Mol. Formula:
C11H16NO2PS

M.W.:
257.30

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.65

Polar Surface Area:
30.49

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
Y

QED Weighted:
0.84

DETAILS

ALA2289280

Name:
2-Methoxy-5-phenethyl-[1,3,2]oxazaphospholidine 2-sulfide

Mol. Formula:
C11H16NO2PS

M.W.:
257.30

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.48

Polar Surface Area:
30.49

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA2289279

Name:
5-Benzyl-2-methoxy-[1,3,2]oxazaphospholidine 2-sulfide

Mol. Formula:
C10H14NO2PS

M.W.:
243.27

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.09

Polar Surface Area:
30.49

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
Y

QED Weighted:
0.82

DETAILS

ALA2289278

Name:
2-Methoxy-5,5-diphenyl-[1,3,2]oxazaphospholidine 2-sulfide

Mol. Formula:
C15H16NO2PS

M.W.:
305.34

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.42

Polar Surface Area:
30.49

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA2289277

Name:
5-Diethoxymethyl-2-methoxy-5-phenyl-[1,3,2]oxazaphospholidine 2-sulfide

Mol. Formula:
C14H22NO4PS

M.W.:
331.37

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.77

Polar Surface Area:
48.95

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA2289276

Name:
5-Isopropyl-2-methoxy-5-phenyl-[1,3,2]oxazaphospholidine 2-sulfide

Mol. Formula:
C12H18NO2PS

M.W.:
271.32

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.03

Polar Surface Area:
30.49

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA2289275

Name:
2-Methoxy-5-methyl-5-phenyl-[1,3,2]oxazaphospholidine 2-sulfide

Mol. Formula:
C10H14NO2PS

M.W.:
243.27

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.39

Polar Surface Area:
30.49

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.81

DETAILS