Compounds

ALA4787527

Name:
7-methyl-3-((methyl(2-(methyl((1-(phenylsulfonyl)-1H-indol-3-yl)methyl)aminShow More⌵

Mol. Formula:
C30H31N3O4S

M.W.:
529.66

3 activity values

2 unique targets

Type:
Unknown

AlogP:
4.86

Polar Surface Area:
75.76

HBA:
7

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA4760595

Name:
(1-((3-Nitrophenyl)sulfonyl)-1H-indol-3-yl)(4-(phenylsulfonyl)-piperazin-1-Show More⌵

Mol. Formula:
C25H22N4O7S2

M.W.:
554.61

9 activity values

3 unique targets

Type:
Unknown

AlogP:
2.93

Polar Surface Area:
139.90

HBA:
8

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA4514088

Name:
N-((2-(4-chlorobenzoyl)hydrazinyl)(pyrrolidin-1-yl)methylene)-4-(5-(thiopheShow More⌵

Mol. Formula:
C26H22ClF3N6O3S2

M.W.:
623.08

1 activity values

1 unique targets

Type:
Unknown

AlogP:
5.35

Polar Surface Area:
108.69

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA4470163

Name:
4,4'-dimethoxybiphenyl-2,2',5,5'-tetrayl tetraacetate

Mol. Formula:
C22H22O10

M.W.:
446.41

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.07

Polar Surface Area:
123.66

HBA:
10

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4469489

Name:
3,3'-((4R,7R,10S,13S,16S,19R)-19-((S)-2-amino-3-(4-hydroxyphenyl)propanamidShow More⌵

Mol. Formula:
C67H96N14O18S2

M.W.:
1449.72

2 activity values

2 unique targets

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4462272

Name:
(S)-2-((S)-2-((S)-2-((4R,7R,10S,13S,16S,19S,22S,25S,28R)-25-((1H-indol-3-ylShow More⌵

Mol. Formula:
C69H95N21O22S4

M.W.:
1698.91

2 activity values

2 unique targets

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4436581

Name:
6,7-dimethyl-3-((methyl(2-(methyl((1-(3-(trifluoromethyl)phenyl)-1H-indol-3Show More⌵

Mol. Formula:
C32H34Cl2F3N3O2

M.W.:
620.54

1 activity values

1 unique targets

Type:
Unknown

AlogP:
6.94

Polar Surface Area:
41.62

HBA:
5

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA4172400

Name:
3,3',3''-((4R,7S,10S,13S,16S,19S,22S,25S,31S,34S,37R)-37-acetamido-4-((S)-1Show More⌵

Mol. Formula:
C73H112N18O21S2

M.W.:
1641.94

6 activity values

3 unique targets

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4165601

Name:
3,3'-((4R,7S,10S,13S,16S,19R)-19-((S)-2-amino-3-(4-hydroxyphenyl)propanamidShow More⌵

Mol. Formula:
C67H96N14O18S2

M.W.:
1449.72

5 activity values

2 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4161101

Name:
3,3',3''-((4R,7S,10S,13S,16S,19S,22S,25S,31S,34S,37R)-37-((S)-2-acetamido-4Show More⌵

Mol. Formula:
C85H131N21O28S2

M.W.:
1959.24

20 activity values

5 unique targets

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS