Compounds

Type:
Unknown

AlogP:
3.36

Polar Surface Area:
68.02

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4476299

Name:
(1S,2R,4aS,6aS,6bR,10Z,11E,12aR)-11-(2,6-dichlorob
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Mol. Formula:
C38H52Cl2N4O2

M.W.:
667.77

Type:
Unknown

AlogP:
9.57

Polar Surface Area:
111.56

HBA:
3

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA4475532

Name:
N-(4-Chlorophenethyl)-2-methylthiazole-4-carboxami
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Mol. Formula:
C13H13ClN2OS

M.W.:
280.78

Type:
Unknown

AlogP:
3.08

Polar Surface Area:
41.99

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.94

DETAILS

ALA4474416

Name:
N-(2-Fluorophenethyl)-5-(thiophen-3-yl)picolinamid
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Mol. Formula:
C18H15FN2OS

M.W.:
326.40

Type:
Unknown

AlogP:
3.92

Polar Surface Area:
41.99

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA4540354

Name:
(1S,2R,4aS,6aS,6bR,12aR,E)-ethyl 10-(2-carbamimido
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Mol. Formula:
C33H54N4O2

M.W.:
538.82

Type:
Unknown

AlogP:
7.05

Polar Surface Area:
100.56

HBA:
4

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA4538482

Name:
5-(2-Cyanophenyl)-N-(2-fluorophenethyl)picolinamid
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Mol. Formula:
C21H16FN3O

M.W.:
345.38

Type:
Unknown

AlogP:
3.73

Polar Surface Area:
65.78

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA4538400

Name:
(1R,1'R,2R,2'R)-2,2'-(4,4'-((1R,3S)-cyclopentane-1
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Mol. Formula:
C41H50O10

M.W.:
702.84

Type:
Unknown

AlogP:
7.79

Polar Surface Area:
114.30

HBA:
10

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA4538270

Name:
(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-((1
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Mol. Formula:
C38H53N5O3

M.W.:
627.87

Type:
Unknown

AlogP:
8.02

Polar Surface Area:
109.86

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA4524481

Name:
N-(2-Fluorophenethyl)-5-(thiophen-2-yl)picolinamid
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Mol. Formula:
C18H15FN2OS

M.W.:
326.40

Type:
Unknown

AlogP:
3.92

Polar Surface Area:
41.99

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA4522201

Name:
N-(2-Chlorophenethyl)-6-phenylpyrimidine-4-carboxa
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Mol. Formula:
C19H16ClN3O

M.W.:
337.81

Type:
Unknown

AlogP:
3.77

Polar Surface Area:
54.88

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA4522057

Name:
(1S,2R,4aS,6aS,6bR,8aR,12aR,12bR,14bS,E)-1,2,6a,6b
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Mol. Formula:
C37H53N7O

M.W.:
611.88

Type:
Unknown

AlogP:
8.26

Polar Surface Area:
107.95

HBA:
6

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4521955

Name:
3-Phenyl-N-(2-(pyridin-4-yl)ethyl)-1,2,4-oxadiazol
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Mol. Formula:
C16H14N4O2

M.W.:
294.31

Type:
Unknown

AlogP:
2.10

Polar Surface Area:
80.91

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4520361

Name:
(1S,2R,4aS,6aS,6bR,10E,12aR)-3-chlorobenzyl 10-gua
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Mol. Formula:
C38H55ClN4O2

M.W.:
635.34

Type:
Unknown

AlogP:
8.88

Polar Surface Area:
100.56

HBA:
4

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA4534923

Name:
2-(Pyridin-3-yl)-N-(2-(pyridin-4-yl)ethyl)thiazole
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Mol. Formula:
C16H14N4OS

M.W.:
310.38

Type:
Unknown

AlogP:
2.57

Polar Surface Area:
67.77

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA4532937

Name:
N-(2-Chlorophenethyl)-2-(pyridin-4-yl)thiazole-4-c
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Mol. Formula:
C17H14ClN3OS

M.W.:
343.84

Type:
Unknown

AlogP:
3.83

Polar Surface Area:
54.88

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA4532373

Name:
N-(3-Chlorophenethyl)-5-phenylpicolinamide

Mol. Formula:
C20H17ClN2O

M.W.:
336.82

Type:
Unknown

AlogP:
4.37

Polar Surface Area:
41.99

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4532078

Name:
N-(2-Chlorophenethyl)-5-phenylpicolinamide

Mol. Formula:
C20H17ClN2O

M.W.:
336.82

Type:
Unknown

AlogP:
4.37

Polar Surface Area:
41.99

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4532010

Name:
(1S,2R,4aS,6aS,6bR,10Z,11E,12aR)-11-(3-chlorobenzy
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Mol. Formula:
C38H53ClN4O2

M.W.:
633.32

Type:
Unknown

AlogP:
8.91

Polar Surface Area:
111.56

HBA:
3

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA4561047

Name:
(1S,2R,4aS,6aS,6bR,10Z,11E,12aR)-11-(3-fluorobenzy
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Mol. Formula:
C38H53FN4O2

M.W.:
616.87

Type:
Unknown

AlogP:
8.40

Polar Surface Area:
111.56

HBA:
3

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA4560346

Name:
(1S,2R,4aS,6aS,6bR,10E,12aR)-4-fluorobenzyl 10-gua
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Mol. Formula:
C38H55FN4O2

M.W.:
618.88