Compounds

ALA4647684

Name:
[(1S,3R,7S,8S,8aR)-8-[2-[(4R)-4-hydroxy-1-[[5-(hydroxymethyl)-6-methoxy-2-nShow More⌵

Mol. Formula:
C37H49NO6

M.W.:
603.80

1 activity values

1 unique targets

Type:
Unknown

AlogP:
6.34

Polar Surface Area:
96.30

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA4634420

Name:
[(3R,7S,8S,8aR)-8-[2-[(4R,6R)-3-[(4-hydroxy-3-methoxy-phenyl)methyl]-4-[2-(Show More⌵

Mol. Formula:
C34H48N2O7

M.W.:
596.77

1 activity values

1 unique targets

Type:
Unknown

AlogP:
5.76

Polar Surface Area:
114.40

HBA:
7

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA3955325

Name:
N-(1-methylpyrazole-4-sulfonyl)-L-prolyl-L-4-(N,N-dimethylcarbamyloxy)phenyShow More⌵

Mol. Formula:
C21H27N5O7S

M.W.:
493.54

5 activity values

4 unique targets

Type:
Small molecule

AlogP:
0.45

Polar Surface Area:
151.14

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA3952722

Name:
N-(toluene-4-sulfonyl)-L-prolyl-L-4(N,N-dimethylcarbamyloxy)phenylalanine

Mol. Formula:
C24H29N3O7S

M.W.:
503.58

5 activity values

4 unique targets

Type:
Small molecule

AlogP:
2.02

Polar Surface Area:
133.32

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA3941275

Name:
N-(N-p-toluenesulfonyl)prolyl-4-(piperazinoyloxy)phenylalanine

Mol. Formula:
C26H32N4O7S

M.W.:
544.63

5 activity values

4 unique targets

Type:
Small molecule

AlogP:
1.36

Polar Surface Area:
145.35

HBA:
7

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA3938571

Name:
N-(toluene-4-sulfonyl)-L-[1,1-dioxo)thiamorpholin-3-carbonyl]-L-4-(N,N-dimeShow More⌵

Mol. Formula:
C24H29N3O9S2

M.W.:
567.64

5 activity values

4 unique targets

Type:
Small molecule

AlogP:
0.66

Polar Surface Area:
167.46

HBA:
8

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA3925460

Name:
N-(toluene-4-sulfonyl)-L-(5,5-dimethyl)thiaprolyl-L-4-[3-(N,N-dimethyl)propShow More⌵

Mol. Formula:
C27H37N3O8S2

M.W.:
595.74

5 activity values

4 unique targets

Type:
Small molecule

AlogP:
1.66

Polar Surface Area:
150.39

HBA:
8

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA3917688

Name:
N-(toluene-4-sulfonyl)-L-prolyl-L-4(4-methylpiperazin-1-ylcarbonyloxy)phenyShow More⌵

Mol. Formula:
C27H34N4O7S

M.W.:
558.66

5 activity values

4 unique targets

Type:
Small molecule

AlogP:
1.71

Polar Surface Area:
136.56

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA3903235

Name:
N-(toluene-4-sulfonyl)-N-methyl-L-alaninyl-L-4-(N,N-dimethylcarbamyloxy)pheShow More⌵

Mol. Formula:
C23H29N3O7S

M.W.:
491.57

5 activity values

4 unique targets

Type:
Small molecule

AlogP:
1.88

Polar Surface Area:
133.32

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA3893793

Name:
N-(N-p-toluenesulfonyl)sarcosyl-4-(N,N-dimethylcarbamyloxy)phenylalanine

Mol. Formula:
C22H27N3O7S

M.W.:
477.54

5 activity values

4 unique targets

Type:
Small molecule

AlogP:
1.49

Polar Surface Area:
133.32

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA3893490

Name:
N-(toluene-4-sulfonyl)-L-(1,1-dioxo-5,5-dimethyl)thiaprolyl-L-4-(N,N-dimethShow More⌵

Mol. Formula:
C25H31N3O9S2

M.W.:
581.67

5 activity values

4 unique targets

Type:
Small molecule

AlogP:
1.39

Polar Surface Area:
167.46

HBA:
8

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA1233907

Name:
1-[4-[4-[4-(2-ethoxyphenyl)sulfanyl-3-nitro-phenyl]-2-pyridyl]piperazin-1-yShow More⌵

Mol. Formula:
C25H26N4O4S

M.W.:
478.57

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.88

Polar Surface Area:
88.81

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.35

DETAILS