Compounds

Type:
---

AlogP:
3.27

Polar Surface Area:
146.00

HBA:
6

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

MG-115

Name:
benzyl (S)-4-methyl-1-((S)-4-methyl-1-oxo-1-((S)-1-oxopentan-2-ylamino)pentShow More⌵

Mol. Formula:
C25H39N3O5

M.W.:
461.60

6 activity values

Type:
Unknown

AlogP:
3.34

Polar Surface Area:
113.60

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4106342

Name:
{(S)-1-[(S)-1-((S)-1-Benzylcarbamoyl-3-methyl-butylcarbamoyl)-2-hydroxy-ethShow More⌵

Mol. Formula:
C36H42N4O6

M.W.:
626.75

3 activity values

Type:
Small molecule

AlogP:
3.72

Polar Surface Area:
137.07

HBA:
6

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA2369723

Name:
(S)-2-[(R)-(S)-2-((R)-Acetyl-methyl-amino)-3-methyl-pentanoylamino]-3-methyShow More⌵

Mol. Formula:
C28H50N4O7

M.W.:
554.73

Type:
Protein

AlogP:
1.16

Polar Surface Area:
157.44

HBA:
7

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA1949717

Name:
1-fluoro-N-(2-(2-(2-(5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazoShow More⌵

Mol. Formula:
C25H39FN4O5S

M.W.:
526.68

Type:
Small molecule

AlogP:
1.65

Polar Surface Area:
117.79

HBA:
6

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA1949716

Name:
(1R,8S)-bicyclo[6.1.0]non-4-yn-9-ylmethyl 13-oxo-17-((3aS,4S,6aR)-2-oxohexaShow More⌵

Mol. Formula:
C29H46N4O7S

M.W.:
594.78

Type:
Small molecule

AlogP:
2.04

Polar Surface Area:
136.25

HBA:
8

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
19

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA1949715

Name:
tricyclo[10.4.0.0^{4,9}]hexadeca- 1(12),4(9),5,7,13,15-hexaen-10-yn-2-yl N-Show More⌵

Mol. Formula:
C35H44N4O7S

M.W.:
664.83

Type:
Small molecule

AlogP:
3.30

Polar Surface Area:
136.25

HBA:
8

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA1790848

Name:
{(S)-1-[(S)-1-((S)-1-Formyl-2-methyl-butylcarbamoyl)-3-methyl-butylcarbamoyShow More⌵

Mol. Formula:
C26H41N3O5

M.W.:
475.63

Type:
Protein

AlogP:
3.59

Polar Surface Area:
113.60

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA554547

Name:
2-Cyclopentyl-10-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-decanoic acid {(S)-1Show More⌵

Mol. Formula:
C47H63ClN8O8S

M.W.:
935.59

Type:
Small molecule

AlogP:
3.96

Polar Surface Area:
249.82

HBA:
9

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
27

Passes Ro3:
N

QED Weighted:
0.02

DETAILS

ALA554352

Name:
2-Cyclopentyl-10-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-decanoic acid {(S)-1Show More⌵

Mol. Formula:
C41H58ClN9O8

M.W.:
840.42

Type:
Small molecule

AlogP:
2.55

Polar Surface Area:
261.32

HBA:
10

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
25

Passes Ro3:
N

QED Weighted:
0.02

DETAILS

ALA555010

Name:
(S)-3-Amino-N-(2-benzenesulfonylamino-ethyl)-2-oxo-4-phenyl-butyramide hydrShow More⌵

Mol. Formula:
C18H22ClN3O4S

M.W.:
411.91

Type:
Small molecule

AlogP:
0.22

Polar Surface Area:
118.36

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA554258

Name:
2-Cyclopentyl-10-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-decanoic acid {(S)-5Show More⌵

Mol. Formula:
C47H63ClN6O8S

M.W.:
907.57

Type:
Small molecule

AlogP:
4.82

Polar Surface Area:
213.94

HBA:
9

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
27

Passes Ro3:
N

QED Weighted:
0.04

DETAILS

ALA207990

Name:
(S)-2-[(R)-(S)-2-((R)-Acetyl-methyl-amino)-3-methyl-pentanoylamino]-3-methyShow More⌵

Mol. Formula:
C28H50N4O7

M.W.:
554.73

Type:
Protein

AlogP:
1.16

Polar Surface Area:
157.44

HBA:
7

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA189919

Name:
(S)-4-{(S)-2-[(S)-2-(3-Hydroxy-2-methyl-benzoylamino)-4-methyl-pentanoylamiShow More⌵

Mol. Formula:
C30H47N3O6

M.W.:
545.72

6 activity values

Type:
Small molecule

AlogP:
4.03

Polar Surface Area:
133.83

HBA:
6

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA189348

Name:
5-(1-{(S)-(S)-1-[(S)-1-(2-Ethoxycarbonyl-vinyl)-3-methyl-butylcarbamoyl]-3-Show More⌵

Mol. Formula:
C33H56N4O7

M.W.:
620.83

Type:
Small molecule

AlogP:
4.27

Polar Surface Area:
143.14

HBA:
7

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA188437

Name:
(S)-4-((S)-3-Hydroxy-2-{(S)-3-methyl-2-[(1,2,5,6-tetrahydro-pyridine-3-carbShow More⌵

Mol. Formula:
C24H40N4O6

M.W.:
480.61

Type:
Small molecule

AlogP:
0.17

Polar Surface Area:
145.86

HBA:
7

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA188385

Name:
5-(1-{(S)-(S)-1-[(S)-1-(2-Ethoxycarbonyl-vinyl)-3-methyl-butylcarbamoyl]-2-Show More⌵

Mol. Formula:
C29H48N4O8

M.W.:
580.72

Type:
Small molecule

AlogP:
1.82

Polar Surface Area:
163.37

HBA:
8

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA426081

Name:
(S)-6-Methyl-4-((S)-4-methyl-2-{(S)-4-methyl-2-[(1,2,5,6-tetrahydro-pyridinShow More⌵

Mol. Formula:
C28H48N4O5

M.W.:
520.72