Compounds

Type:
Unknown

AlogP:
5.12

Polar Surface Area:
114.51

HBA:
7

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4524048

Name:
Lithium salt of 2-butyl-5-chloro-3-{2,3-dibromo-1-[2-(2H-tetrazol-5-yl)-phShow More⌵

Mol. Formula:
C24H18Br2ClLi2N7O2

M.W.:
645.60

Type:
Unknown

AlogP:
6.27

Polar Surface Area:
114.51

HBA:
7

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA4524047

Name:
Lithium salt of 2-butyl-5-chloro-3-{1-[2-(2H-tetrazol-5-yl)-phenyl]-1H-indShow More⌵

Mol. Formula:
C24H20ClLi2N7O2

M.W.:
487.81

13 activity values

6 unique targets

Type:
Unknown

AlogP:
4.75

Polar Surface Area:
114.51

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA3350600

Name:
(3S)-3-amino-3-{[(1S)-1-{[(3-{[(1S)-1-{[(2S)-1-[(2S)-2-{[(1S)-1-carboxy-2-pShow More⌵

Mol. Formula:
C51H66N12O11

M.W.:
1023.16

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3350599

Name:
(3S)-3-amino-3-{[(1S)-1-{[(1S)-1-{[(R)-amino({[(1S)-1-{[(2S)-1-[(2S)-2-{[(1Show More⌵

Mol. Formula:
C46H68N12O11

M.W.:
965.12

Type:
Protein

AlogP:
-2.07

Polar Surface Area:
385.95

HBA:
12

HBD:
12

#RO5 Violations:
3

#Rotatable Bonds:
27

Passes Ro3:
N

QED Weighted:
0.02

DETAILS

ALA2079784

Name:
Potassium salt of 2-Butyl-5-chloro-3-{1-[2-(2H-tetrazol-5-yl)-phenyl]-1H-iShow More⌵

Mol. Formula:
C28H27ClKN7O4

M.W.:
600.12

Type:
Small molecule

AlogP:
5.12

Polar Surface Area:
129.81

HBA:
10

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA2079782

Name:
Potassium salt of 2-Butyl-5-chloro-3-{1-[2-(2H-tetrazol-5-yl)-phenyl]-1H-iShow More⌵

Mol. Formula:
C28H29ClKN7O2

M.W.:
570.14

Type:
Small molecule

AlogP:
6.01

Polar Surface Area:
103.51

HBA:
8

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA2079781

Name:
Potassium salt of 2-Butyl-5-chloro-3-{1-[2-(2H-tetrazol-5-yl)-phenyl]-1H-iShow More⌵

Mol. Formula:
C33H37ClKN7O4

M.W.:
670.25

Type:
Small molecule

AlogP:
6.78

Polar Surface Area:
129.81

HBA:
10

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA2079770

Name:
Potassium salt of 2-Butyl-5-chloro-3-{1-[2-(2H-tetrazol-5-yl)-phenyl]-1H-iShow More⌵

Mol. Formula:
C33H29ClKN7O2

M.W.:
630.19

Type:
Small molecule

AlogP:
6.76

Polar Surface Area:
103.51

HBA:
8

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA2079769

Name:
Potassium salt of 2-Butyl-5-chloro-3-{1-[2-(2H-tetrazol-5-yl)-phenyl]-1H-iShow More⌵

Mol. Formula:
C32H35ClKN7O4

M.W.:
656.23

Type:
Small molecule

AlogP:
6.39

Polar Surface Area:
129.81

HBA:
10

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA2079768

Name:
Potassium salt of 2-Butyl-5-chloro-3-{1-[2-(2H-tetrazol-5-yl)-phenyl]-1H-iShow More⌵

Mol. Formula:
C31H33ClKN7O4

M.W.:
642.20

Type:
Small molecule

AlogP:
6.14

Polar Surface Area:
129.81

HBA:
10

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA2021416

Name:
Potassium salt of 2-Butyl-5-chloro-3-{1-[2-(2H-tetrazol-5-yl)-phenyl]-1H-iShow More⌵

Mol. Formula:
C26H25ClKN7O2

M.W.:
542.08

5 activity values

Type:
Small molecule

AlogP:
5.23

Polar Surface Area:
103.51

HBA:
8

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA2021415

Name:
Potassium salt of 2-Butyl-5-chloro-3-{1-[2-(2H-tetrazol-5-yl)-phenyl]-1H-iShow More⌵

Mol. Formula:
C30H32ClKN8O3

M.W.:
627.19

Type:
Small molecule

AlogP:
5.08

Polar Surface Area:
123.82

HBA:
9

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA1790055

Name:
Lithium salt of (2-Butyl-5-chloro-3-{1-[2-(2H-tetrazol-5-yl)-phenyl]-1H-inShow More⌵

Mol. Formula:
C24H23ClLiN7O

M.W.:
467.89

Type:
Small molecule

AlogP:
4.54

Polar Surface Area:
97.44

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA276163

Name:
(S)-3-Amino-N-((S)-1-{(S)-1-[(S)-3-[2-[2-((S)-(S)-1-carboxy-2-phenyl-ethylcShow More⌵

Mol. Formula:
C49H62N12O11

M.W.:
995.11

Type:
Small molecule

AlogP:
0.27

Polar Surface Area:
379.74

HBA:
12

HBD:
12

#RO5 Violations:
3

#Rotatable Bonds:
25

Passes Ro3:
N

QED Weighted:
0.02

DETAILS

ALA194864

Name:
(S)-3-Amino-N-{(S)-1-[3-[(S)-2-[2-((S)-(S)-1-carboxy-2-phenyl-ethylcarbamoyShow More⌵

Mol. Formula:
C44H53N11O10

M.W.:
895.97

Type:
Small molecule

AlogP:
0.13

Polar Surface Area:
350.64

HBA:
11

HBD:
11

#RO5 Violations:
3

#Rotatable Bonds:
22

Passes Ro3:
N

QED Weighted:
0.03

DETAILS

ALA428986

Name:
(S)-3-Amino-N-((S)-1-{1-[(S)-3-[2-[2-((S)-(S)-1-carboxy-2-phenyl-ethylcarbaShow More⌵

Mol. Formula:
C50H64N12O11

M.W.:
1009.13

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA196316

Name:
(S)-3-Amino-N-{(S)-1-[3-[(S)-2-[2-((S)-(S)-1-carboxy-2-phenyl-ethylcarbamoyShow More⌵

Mol. Formula:
C45H55N11O10

M.W.:
910.00

Type:
Small molecule

AlogP:
-0.19

Polar Surface Area:
350.64

HBA:
11

HBD:
11

#RO5 Violations:
3

#Rotatable Bonds:
23

Passes Ro3:
N

QED Weighted:
0.03

DETAILS

ALA145017

Name:
2-Butyl-1-(2'-carboxy-biphenyl-4-ylmethyl)-6-methyl-4-phenyl-1,6-dihydro-pyShow More⌵

Mol. Formula:
C32H34N2O4

M.W.:
510.63

Type:
Small molecule

AlogP:
6.82

Polar Surface Area:
79.20

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA143083

Name:
2-Butyl-1-(2'-carboxy-biphenyl-4-ylmethyl)-4,6-dimethyl-1,6-dihydro-pyrimidShow More⌵

Mol. Formula:
C27H32N2O4

M.W.:
448.56