Compounds

ALA5316218

Name:
DDD00099038

Mol. Formula:
C9H16O2

M.W.:
156.22

Type:
---

AlogP:
2.00

Polar Surface Area:
37.30

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.63

DETAILS

ALA5316217

Name:
DDD00099287

Mol. Formula:
C12H22O3

M.W.:
214.31

Type:
---

AlogP:
1.32

Polar Surface Area:
49.69

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
Y

QED Weighted:
0.74

DETAILS

ALA5316214

Name:
DDD00099255

Mol. Formula:
C9H18N2O2

M.W.:
186.25

Type:
---

AlogP:
0.28

Polar Surface Area:
58.20

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA5316211

Name:
DDD00097253

Mol. Formula:
C16H18ClN3O3S

M.W.:
367.86

Type:
---

AlogP:
1.14

Polar Surface Area:
78.51

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA5316210

Name:
DDD00097239

Mol. Formula:
C16H25N3O3S

M.W.:
339.46

Type:
---

AlogP:
0.96

Polar Surface Area:
69.72

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA5308359

Name:
DDD00096673

Mol. Formula:
C22H23ClN4O3S

M.W.:
458.97

Type:
---

AlogP:
3.51

Polar Surface Area:
93.09

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA5308357

Name:
DDD00094315

Mol. Formula:
C16H22N2O3S

M.W.:
322.43

Type:
---

AlogP:
2.13

Polar Surface Area:
80.47

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.93

DETAILS

ALA5308356

Name:
DDD00098598

Mol. Formula:
C12H16ClN5S

M.W.:
297.82

Type:
---

AlogP:
2.90

Polar Surface Area:
67.17

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.93

DETAILS

ALA5308355

Name:
DDD00096702

Mol. Formula:
C21H19N3O3

M.W.:
361.40

Type:
---

AlogP:
1.55

Polar Surface Area:
83.71

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA5308352

Name:
DDD00092142

Mol. Formula:
C20H25N3O3

M.W.:
355.44

Type:
---

AlogP:
2.71

Polar Surface Area:
73.34

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA5308351

Name:
DDD00096554

Mol. Formula:
C18H19N3O3S2

M.W.:
389.50

Type:
---

AlogP:
1.97

Polar Surface Area:
81.48

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA5308350

Name:
DDD00098212

Mol. Formula:
C17H14N2O3

M.W.:
294.31

Type:
---

AlogP:
3.69

Polar Surface Area:
71.45

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA5308349

Name:
DDD00090906

Mol. Formula:
C18H19NO3

M.W.:
297.35

Type:
---

AlogP:
3.17

Polar Surface Area:
57.61

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.93

DETAILS

ALA5308348

Name:
DDD00096310

Mol. Formula:
C21H18FN3O4S

M.W.:
427.46

Type:
---

AlogP:
2.89

Polar Surface Area:
103.41

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA5308347

Name:
DDD00096547

Mol. Formula:
C13H17NO5S

M.W.:
299.35

Type:
---

AlogP:
0.97

Polar Surface Area:
83.91

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA5308346

Name:
DDD00092074

Mol. Formula:
C19H18N2O4

M.W.:
338.36

Type:
---

AlogP:
2.08

Polar Surface Area:
67.87

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.93

DETAILS

ALA5308345

Name:
DDD00092480

Mol. Formula:
C17H23NO3

M.W.:
289.38

Type:
---

AlogP:
2.76

Polar Surface Area:
66.40

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA5308344

Name:
DDD00095838

Mol. Formula:
C14H25NOS

M.W.:
255.43

Type:
---

AlogP:
3.36

Polar Surface Area:
29.10

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA5308343

Name:
DDD00095975

Mol. Formula:
C15H23NO4S2

M.W.:
345.49

Type:
---

AlogP:
1.83

Polar Surface Area:
71.52

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA5308341

Name:
DDD00093606

Mol. Formula:
C19H23N3O

M.W.:
309.41

Type:
---

AlogP:
3.25

Polar Surface Area:
46.92

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.93

DETAILS