Compounds

Type:
---

AlogP:
5.25

Polar Surface Area:
110.80

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA5198708

Name:
(S)-2-(3-(Naphthalen-1-yl)ureido)-N-((S,E)-6-oxo-1-phenylhept-4-en-3-yl)-3-Show More⌵

Mol. Formula:
C33H33N3O3

M.W.:
519.65

Type:
---

AlogP:
5.84

Polar Surface Area:
87.30

HBA:
3

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA5205818

Name:
(S)-2-(3-(4-Chloro-2-(trifluoromethyl)phenyl)ureido)-N-((S,E)-6-oxo-1-phenyShow More⌵

Mol. Formula:
C30H29ClF3N3O3

M.W.:
572.03

Type:
---

AlogP:
6.35

Polar Surface Area:
87.30

HBA:
3

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA5204127

Name:
N-((S)-1-((S)-1-Cyano-3-phenylpropylcarbamoyl)-2-phenylethyl)-3-fluorobenzaShow More⌵

Mol. Formula:
C26H24FN3O2

M.W.:
429.50

Type:
---

AlogP:
3.81

Polar Surface Area:
81.99

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA5202609

Name:
(S,E)-4-((2-((5-phenyl-1-(phenylsulfonyl)pent-1-en-3-yl)carbamoyl)benzyl)caShow More⌵

Mol. Formula:
C33H30N2O6S

M.W.:
582.68

3 activity values

1 unique targets

Type:
---

AlogP:
5.03

Polar Surface Area:
129.64

HBA:
5

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA5200962

Name:
N-((S)-1-((S)-1-Cyano-3-phenylpropylcarbamoyl)-3-methylbutyl)-2,6-difluorobShow More⌵

Mol. Formula:
C23H25F2N3O2

M.W.:
413.47

Type:
---

AlogP:
3.75

Polar Surface Area:
81.99

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA5200893

Name:
Phenyl (S,E)-3-(2-((2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamido)methyl)beShow More⌵

Mol. Formula:
C34H31FN2O7S

M.W.:
630.69

7 activity values

5 unique targets

Type:
---

AlogP:
5.34

Polar Surface Area:
120.03

HBA:
7

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA5200736

Name:
(S,E)-4-(2-(2-((5-phenyl-1-(phenylsulfonyl)pent-1-en-3-yl)carbamoyl)phenyl)Show More⌵

Mol. Formula:
C33H30N2O6S

M.W.:
582.68

5 activity values

Type:
---

AlogP:
5.28

Polar Surface Area:
129.64

HBA:
5

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA5200091

Name:
(S)-4-Methyl-N-((S,E)-6-oxo-1-phenylhept-4-en-3-yl)-2-(3-(p-tolyl)ureido)peShow More⌵

Mol. Formula:
C27H35N3O3

M.W.:
449.60

Type:
---

AlogP:
4.79

Polar Surface Area:
87.30

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA5199992

Name:
(S,E)-N-(2-((1-(Benzylsulfonyl)-1-fluoro-5-phenylpent-1-en-3-yl)carbamoyl)bShow More⌵

Mol. Formula:
C32H30FN3O4S

M.W.:
571.67

3 activity values

Type:
---

AlogP:
5.17

Polar Surface Area:
105.23

HBA:
5

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA5199504

Name:
(S,E)-N-(2-((5-phenyl-1-(phenylsulfonyl)pent-1-en-3-yl)carbamoyl)benzyl)isoShow More⌵

Mol. Formula:
C31H29N3O4S

M.W.:
539.66

9 activity values

Type:
---

AlogP:
4.73

Polar Surface Area:
105.23

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA5199175

Name:
Phenyl (S,E)-1-fluoro-3-(2-(isonicotinamidomethyl)benzamido)-5-phenylpent-1Show More⌵

Mol. Formula:
C31H28FN3O5S

M.W.:
573.65

5 activity values

5 unique targets

Type:
---

AlogP:
4.96

Polar Surface Area:
114.46

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA5209848

Name:
N-((S)-1-((S)-1-Cyano-3-phenylpropylcarbamoyl)-2-phenylethyl)-2,4-difluorobShow More⌵

Mol. Formula:
C26H25N3O2

M.W.:
411.51

Type:
---

AlogP:
3.67

Polar Surface Area:
81.99

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA5209185

Name:
(S,E)-2-(Acetamidomethyl)-N-(5-phenyl-1-(phenylsulfonyl)pent-1-en-3-yl)benzShow More⌵

Mol. Formula:
C27H28N2O4S

M.W.:
476.60

5 activity values

Type:
---

AlogP:
4.04

Polar Surface Area:
92.34

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA5209133

Name:
(S)-N-((S,E)-6-Oxo-1-phenylhept-4-en-3-yl)-3-phenyl-2-(3-(p-tolyl)ureido)prShow More⌵

Mol. Formula:
C30H33N3O3

M.W.:
483.61

Type:
---

AlogP:
4.99

Polar Surface Area:
87.30

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA5208783

Name:
(S,E)-N-(2-((1-(Benzylsulfonyl)-5-phenylpent-1-en-3-yl)carbamoyl)benzyl)-3,Show More⌵

Mol. Formula:
C33H30F2N2O4S

M.W.:
588.68

9 activity values

Type:
---

AlogP:
5.75

Polar Surface Area:
92.34

HBA:
4

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA5208143

Name:
Phenyl (S,E)-3-(2-((2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamido)methyl)beShow More⌵

Mol. Formula:
C34H32N2O7S

M.W.:
612.70

14 activity values

5 unique targets

Type:
---

AlogP:
5.04

Polar Surface Area:
120.03

HBA:
7

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA5207701

Name:
(S,E)-N-(2-((1-(Benzylsulfonyl)-5-phenylpent-1-en-3-yl)carbamoyl)benzyl)-4-Show More⌵

Mol. Formula:
C32H38N4O4S

M.W.:
574.75

3 activity values

1 unique targets

Type:
---

AlogP:
4.00

Polar Surface Area:
98.82

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA5207517

Name:
(S)-2-(3-(4-Chlorophenyl)ureido)-N-((S,E)-6-oxo-1-phenylhept-4-en-3-yl)-3-pShow More⌵

Mol. Formula:
C29H30ClN3O3

M.W.:
504.03