Compounds

Type:
Small molecule

AlogP:
2.66

Polar Surface Area:
96.02

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA364096

Name:
5-((S)-2-Oxo-4-phenyl-imidazolidine-1-sulfonyl)-2,3-dihydro-indole-1-carboxShow More⌵

Mol. Formula:
C25H31N5O5S

M.W.:
513.62

Type:
Small molecule

AlogP:
1.89

Polar Surface Area:
102.50

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA363690

Name:
5-((S)-2-Oxo-4-phenyl-imidazolidine-1-sulfonyl)-2,3-dihydro-indole-1-carboxShow More⌵

Mol. Formula:
C24H29N5O5S

M.W.:
499.59

Type:
Small molecule

AlogP:
1.55

Polar Surface Area:
111.29

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA188453

Name:
(S)-4-Phenyl-1-[1-(thiophene-2-carbonyl)-2,3-dihydro-1H-indole-5-sulfonyl]-Show More⌵

Mol. Formula:
C22H19N3O4S2

M.W.:
453.55

5 unique targets

Type:
Small molecule

AlogP:
3.41

Polar Surface Area:
86.79

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA365509

Name:
(S)-1-[1-(2,6-Dichloro-pyridine-4-carbonyl)-2,3-dihydro-1H-indole-5-sulfonyShow More⌵

Mol. Formula:
C23H18Cl2N4O4S

M.W.:
517.39

5 unique targets

Type:
Small molecule

AlogP:
4.05

Polar Surface Area:
99.68

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA186524

Name:
(S)-1-[1-(4-Amino-benzoyl)-2,3-dihydro-1H-indole-5-sulfonyl]-4-phenyl-imidaShow More⌵

Mol. Formula:
C24H22N4O4S

M.W.:
462.53

9 activity values

9 unique targets

Type:
Small molecule

AlogP:
2.93

Polar Surface Area:
112.81

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA187414

Name:
[2-Methyl-4-((S)-2-oxo-4-phenyl-imidazolidine-1-sulfonyl)-phenyl]-carbamic Show More⌵

Mol. Formula:
C19H21N3O5S

M.W.:
403.46

13 activity values

10 unique targets

Type:
Small molecule

AlogP:
3.02

Polar Surface Area:
104.81

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA188420

Name:
(S)-1-[1-(5-Nitro-furan-2-carbonyl)-2,3-dihydro-1H-indole-5-sulfonyl]-4-pheShow More⌵

Mol. Formula:
C22H18N4O7S

M.W.:
482.47

Type:
Small molecule

AlogP:
2.85

Polar Surface Area:
143.07

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA362333

Name:
1-[1-(4-Amino-benzoyl)-2,3-dihydro-1H-indole-5-sulfonyl]-4-thiophen-2-yl-imShow More⌵

Mol. Formula:
C22H20N4O4S2

M.W.:
468.56

Type:
Small molecule

AlogP:
2.99

Polar Surface Area:
112.81

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA361244

Name:
(S)-4-Phenyl-1-[1-(pyridine-4-carbonyl)-2,3-dihydro-1H-indole-5-sulfonyl]-iShow More⌵

Mol. Formula:
C23H20N4O4S

M.W.:
448.50

5 unique targets

Type:
Small molecule

AlogP:
2.74

Polar Surface Area:
99.68

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA362529

Name:
4-Amino-N-[2-chloro-4-((S)-2-oxo-4-phenyl-imidazolidine-1-sulfonyl)-phenyl]Show More⌵

Mol. Formula:
C22H19ClN4O4S

M.W.:
470.94

10 activity values

10 unique targets

Type:
Small molecule

AlogP:
3.63

Polar Surface Area:
121.60

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA362352

Name:
(S)-4-Phenyl-1-[1-(2-thiophen-2-yl-acetyl)-2,3-dihydro-1H-indole-5-sulfonylShow More⌵

Mol. Formula:
C23H21N3O4S2

M.W.:
467.57

Type:
Small molecule

AlogP:
3.34

Polar Surface Area:
86.79

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA187716

Name:
1-[1-(4-Amino-benzoyl)-2,3-dihydro-1H-indole-5-sulfonyl]-4-(4-fluoro-phenylShow More⌵

Mol. Formula:
C24H21FN4O4S

M.W.:
480.52

Type:
Small molecule

AlogP:
3.07

Polar Surface Area:
112.81

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA185218

Name:
(S)-N-((S)-1-{[1-((S)-Isopropyl)-3-methyl-4-oxo-pent-2-enyl]-methyl-carbamoShow More⌵

Mol. Formula:
C28H45N3O3

M.W.:
471.69

Type:
Small molecule

AlogP:
4.10

Polar Surface Area:
78.51

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA183955

Name:
(S)-N-((S)-2,2-Dimethyl-1-{methyl-[2-methyl-1-(3-methyl-2,5-dioxo-imidazoliShow More⌵

Mol. Formula:
C28H43N5O4

M.W.:
513.68

Type:
Small molecule

AlogP:
2.63

Polar Surface Area:
110.85

HBA:
5

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA184111

Name:
(R)-1-((E)-(S)-4-{[(S)-3,3-Dimethyl-2-((S)-3-methyl-2-methylamino-3-m-tolylShow More⌵

Mol. Formula:
C34H54N4O5

M.W.:
598.83

Type:
Small molecule

AlogP:
3.98

Polar Surface Area:
108.05

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA185381

Name:
1-((S)-4-{[(S)-3,3-Dimethyl-2-((S)-3-methyl-2-methylamino-3-phenyl-butyrylaShow More⌵

Mol. Formula:
C40H59N5O4

M.W.:
673.94

Type:
Small molecule

AlogP:
4.86

Polar Surface Area:
110.85

HBA:
5

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA363674

Name:
(R)-1-((E)-(S)-4-{[(S)-3,3-Dimethyl-2-((S)-3-methyl-2-methylamino-3-phenyl-Show More⌵

Mol. Formula:
C32H50N4O6

M.W.:
586.77

Type:
Small molecule

AlogP:
2.56

Polar Surface Area:
139.28

HBA:
6

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA183593

Name:
(S)-N-{(S)-1-[((E)-(S)-1-Isopropyl-3-phenyl-but-2-enyl)-methyl-carbamoyl]-2Show More⌵

Mol. Formula:
C32H47N3O2

M.W.:
505.75

Type:
Small molecule

AlogP:
5.67

Polar Surface Area:
61.44

HBA:
3

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA361536

Name:
(R)-1-((E)-(S)-4-{[(S)-2-((S)-3-Cyclohexyl-3-methyl-2-methylamino-butyrylamShow More⌵

Mol. Formula:
C33H58N4O5

M.W.:
590.85