Compounds

Type:
---

AlogP:
6.14

Polar Surface Area:
163.10

HBA:
11

HBD:
2

#RO5 Violations:
3

#Rotatable Bonds:
22

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA4292295

Name:
Acetyl-Prolyl-Leucyl-cyclo[Histidinyl-[N(tau)-4-butyl]-[N(pi)-8-phenyloctylShow More⌵

Mol. Formula:
C44H70N8O11P+

M.W.:
918.06

Type:
Small molecule

AlogP:
1.30

Polar Surface Area:
261.61

HBA:
10

HBD:
8

#RO5 Violations:
2

#Rotatable Bonds:
19

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA4287557

Name:
Acetyl-cyclo[Histidinyl-[N(tue)-5-pentyl]-[N(pi)-8-phenyloctyl]-Seryl-(O-phShow More⌵

Mol. Formula:
C34H54N6O9P+

M.W.:
721.81

Type:
Small molecule

AlogP:
1.17

Polar Surface Area:
212.20

HBA:
8

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA4281659

Name:
Acetyl-Prolyl-Leucyl-cyclo[Histidinyl-[N(tue)-5-pentyl]-[N(pi)-8-phenyloctyShow More⌵

Mol. Formula:
C45H72N8O11P+

M.W.:
932.09

Type:
Small molecule

AlogP:
1.69

Polar Surface Area:
261.61

HBA:
10

HBD:
8

#RO5 Violations:
2

#Rotatable Bonds:
19

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA4278200

Name:
Acetyl-Prolyl-Leucyl-cyclo[Histidinyl-[N(tue)-6-hexyl]-[N(pi)-8-phenyloctylShow More⌵

Mol. Formula:
C46H74N8O11P+

M.W.:
946.12

Type:
Small molecule

AlogP:
2.08

Polar Surface Area:
261.61

HBA:
10

HBD:
8

#RO5 Violations:
2

#Rotatable Bonds:
19

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA4177399

Name:
(R)-4-((8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yShow More⌵

Mol. Formula:
C23H32N6O3S

M.W.:
472.62

Type:
Small molecule

AlogP:
3.41

Polar Surface Area:
107.53

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4176983

Name:
(R)-4-((8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yShow More⌵

Mol. Formula:
C22H30N6O4S

M.W.:
474.59

Type:
Small molecule

AlogP:
1.99

Polar Surface Area:
127.76

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4176689

Name:
rac-N-butyl-4-((7-ethyl-5-methyl-8-(1-methyl-1H-pyrazol-3-yl)-6-oxo-5,6,7,8Show More⌵

Mol. Formula:
C23H30N8O3S

M.W.:
498.61

Type:
Small molecule

AlogP:
2.93

Polar Surface Area:
125.35

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4175615

Name:
rac-4-((7-ethyl-5-methyl-8-(1-methyl-1H-pyrazol-3-yl)-6-oxo-5,6,7,8-tetrahyShow More⌵

Mol. Formula:
C22H28N8O4S

M.W.:
500.59

Type:
Small molecule

AlogP:
1.51

Polar Surface Area:
145.58

HBA:
10

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4174735

Name:
rac-1-(7-ethyl-5-methyl-8-(1-methyl-1H-pyrazol-3-yl)-6-oxo-5,6,7,8-tetrahydShow More⌵

Mol. Formula:
C26H30N8O2

M.W.:
486.58

Type:
Small molecule

AlogP:
3.43

Polar Surface Area:
101.18

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4173620

Name:
(R)-N-cyclopentyl-4-((8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydShow More⌵

Mol. Formula:
C25H34N6O3S

M.W.:
498.65

Type:
Small molecule

AlogP:
3.95

Polar Surface Area:
107.53

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4173322

Name:
rac-4-((7-ethyl-5-methyl-8-(1-methyl-1H-pyrazol-3-yl)-6-oxo-5,6,7,8-tetrahyShow More⌵

Mol. Formula:
C21H26N8O4S

M.W.:
486.56

Type:
Small molecule

AlogP:
1.12

Polar Surface Area:
145.58

HBA:
10

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4172511

Name:
rac-4-((7-ethyl-5-methyl-8-(1-methyl-1H-pyrazol-3-yl)-6-oxo-5,6,7,8-tetrahyShow More⌵

Mol. Formula:
C20H24N8O3S

M.W.:
456.53

Type:
Small molecule

AlogP:
1.75

Polar Surface Area:
125.35

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4172185

Name:
(R)-8-cyclopentyl-7-ethyl-2-(5-fluoro-1H-indol-1-yl)-5-methyl-7,8-dihydroptShow More⌵

Mol. Formula:
C22H24FN5O

M.W.:
393.47

Type:
Small molecule

AlogP:
4.06

Polar Surface Area:
54.26

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4171770

Name:
(R)-1-(8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-ylShow More⌵

Mol. Formula:
C25H30N6O2

M.W.:
446.56

Type:
Small molecule

AlogP:
3.67

Polar Surface Area:
83.36

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4171281

Name:
rac-1-(7-ethyl-5-methyl-8-(1-methyl-1H-pyrazol-3-yl)-6-oxo-5,6,7,8-tetrahydShow More⌵

Mol. Formula:
C25H28N8O2

M.W.:
472.55

Type:
Small molecule

AlogP:
3.19

Polar Surface Area:
101.18

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4170176

Name:
(R)-N-butyl-4-((8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropterShow More⌵

Mol. Formula:
C24H34N6O3S

M.W.:
486.64

Type:
Small molecule

AlogP:
3.80

Polar Surface Area:
107.53

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4169129

Name:
(R)-4-((8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yShow More⌵

Mol. Formula:
C23H32N6O4S

M.W.:
488.61

Type:
Small molecule

AlogP:
2.38

Polar Surface Area:
127.76

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4168834

Name:
rac-4-((7-ethyl-5-methyl-8-(1-methyl-1H-pyrazol-3-yl)-6-oxo-5,6,7,8-tetrahyShow More⌵

Mol. Formula:
C22H28N8O3S

M.W.:
484.59

Type:
Small molecule

AlogP:
2.54

Polar Surface Area:
125.35

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4168155

Name:
(R)-4-((8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yShow More⌵

Mol. Formula:
C20H26N6O3S

M.W.:
430.53