Compounds

ALA129301

Name:
3-Amino-N-{1-[1-(1-{[(1-{[(1-carbamoyl-3-methyl-butyl)-(3-methyl-butyryl)-aShow More⌵

Mol. Formula:
C40H66N8O10

M.W.:
819.01

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
-0.44

Polar Surface Area:
292.45

HBA:
10

HBD:
9

#RO5 Violations:
2

#Rotatable Bonds:
26

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA336849

Name:
3-Amino-N-{1-[1-(1-{[(1-{[(1-carbamoyl-3-methyl-butyl)-ethyl-amino]-methyl}Show More⌵

Mol. Formula:
C37H62N8O9

M.W.:
762.95

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
-1.00

Polar Surface Area:
275.38

HBA:
10

HBD:
9

#RO5 Violations:
2

#Rotatable Bonds:
25

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA339591

Name:
3-Amino-N-[1-(1-{1-[2-(1-{[(1-carbamoyl-2-phenyl-ethyl)-propyl-amino]-methyShow More⌵

Mol. Formula:
C42H64N8O9

M.W.:
825.02

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
-0.02

Polar Surface Area:
275.38

HBA:
10

HBD:
9

#RO5 Violations:
2

#Rotatable Bonds:
27

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA128854

Name:
3-Amino-N-{1-[1-(1-{[(1-{[(1-carbamoyl-3-methyl-butyl)-propyl-amino]-methylShow More⌵

Mol. Formula:
C38H64N8O9

M.W.:
776.98

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
-0.61

Polar Surface Area:
275.38

HBA:
10

HBD:
9

#RO5 Violations:
2

#Rotatable Bonds:
26

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA128521

Name:
3-Amino-N-{1-[1-(1-{[(1-{[(1-carbamoyl-3-methyl-butyl)-methyl-amino]-methylShow More⌵

Mol. Formula:
C36H60N8O9

M.W.:
748.92

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
-1.39

Polar Surface Area:
275.38

HBA:
10

HBD:
9

#RO5 Violations:
2

#Rotatable Bonds:
24

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA341065

Name:
3-Amino-N-(1-{1-[1-({[1-(1-carbamoyl-3-methyl-butylcarbamoyl)-3-methyl-butyShow More⌵

Mol. Formula:
C35H56N8O10

M.W.:
748.88

1 activity values

1 unique targets

Type:
Protein

AlogP:
-2.20

Polar Surface Area:
301.24

HBA:
10

HBD:
10

#RO5 Violations:
2

#Rotatable Bonds:
23

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA339941

Name:
3-Amino-N-[1-(1-{1-[({[1-(1-carbamoyl-3-methyl-butylcarbamoyl)-3-methyl-butShow More⌵

Mol. Formula:
C35H58N8O9

M.W.:
734.90

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
-1.73

Polar Surface Area:
284.17

HBA:
10

HBD:
10

#RO5 Violations:
2

#Rotatable Bonds:
24

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA128175

Name:
3-Amino-N-(1-{1-benzyl-2-[1-({[1-(1-carbamoyl-3-methyl-butylcarbamoyl)-3-meShow More⌵

Mol. Formula:
C35H58N8O9

M.W.:
734.90

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
-1.73

Polar Surface Area:
284.17

HBA:
10

HBD:
10

#RO5 Violations:
2

#Rotatable Bonds:
24

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA262731

Name:
3-Amino-N-{1-[1-(1-{2-[1-(1-carbamoyl-3-methyl-butylcarbamoyl)-3-methyl-butShow More⌵

Mol. Formula:
C35H58N8O9

M.W.:
734.90

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
-1.73

Polar Surface Area:
284.17

HBA:
10

HBD:
10

#RO5 Violations:
2

#Rotatable Bonds:
24

Passes Ro3:
N

QED Weighted:
0.05

DETAILS

ALA341015

Name:
3-Amino-N-[1-(1-{1-[({1-[(1-carbamoyl-3-methyl-butylamino)-methyl]-3-methylShow More⌵

Mol. Formula:
C35H58N8O9

M.W.:
734.90

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
-1.73

Polar Surface Area:
284.17

HBA:
10

HBD:
10

#RO5 Violations:
2

#Rotatable Bonds:
24

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA340743

Name:
3-Amino-N-[1-(1-{1-[({1-[(1-carbamoyl-2-phenyl-ethylamino)-methyl]-3-methylShow More⌵

Mol. Formula:
C38H56N8O9

M.W.:
768.91

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
-1.53

Polar Surface Area:
284.17

HBA:
10

HBD:
10

#RO5 Violations:
2

#Rotatable Bonds:
24

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA340880

Name:
3-Amino-N-(1-{1-[1-(2-{1-[(1-carbamoyl-3-methyl-butylamino)-methyl]-3-methyShow More⌵

Mol. Formula:
C36H60N8O9

M.W.:
748.92

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
-1.34

Polar Surface Area:
284.17

HBA:
10

HBD:
10

#RO5 Violations:
2

#Rotatable Bonds:
25

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA409334

Name:
3-Amino-N-(2-{1-[1-({[1-(1-carbamoyl-3-methyl-butylcarbamoyl)-3-methyl-butyShow More⌵

Mol. Formula:
C35H58N8O9

M.W.:
734.90

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
-1.73

Polar Surface Area:
284.17

HBA:
10

HBD:
10

#RO5 Violations:
2

#Rotatable Bonds:
24

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA126776

Name:
3-Amino-N-(1-{1-[1-(2-{1-[(1-carbamoyl-2-phenyl-ethylamino)-methyl]-3-methyShow More⌵

Mol. Formula:
C39H58N8O9

M.W.:
782.94

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
-1.14

Polar Surface Area:
284.17

HBA:
10

HBD:
10

#RO5 Violations:
2

#Rotatable Bonds:
25

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA337970

Name:
3-Amino-N-(1-{1-[1-({[1-benzyl-2-(1-carbamoyl-3-methyl-butylamino)-ethylcarShow More⌵

Mol. Formula:
C38H56N8O9

M.W.:
768.91

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
-1.53

Polar Surface Area:
284.17

HBA:
10

HBD:
10

#RO5 Violations:
2

#Rotatable Bonds:
24

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA340847

Name:
4-(1-{1-[1-({[1-(1-Carbamoyl-3-methyl-butylcarbamoyl)-3-methyl-butylcarbamoShow More⌵

Mol. Formula:
C35H57N7O9

M.W.:
719.88

1 activity values

1 unique targets

Type:
Protein

AlogP:
-0.67

Polar Surface Area:
258.15

HBA:
9

HBD:
9

#RO5 Violations:
2

#Rotatable Bonds:
24

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA126294

Name:
3-Amino-N-(1-{1-[1-({[1-(1-carbamoyl-3-methylsulfanyl-propylcarbamoyl)-3-meShow More⌵

Mol. Formula:
C34H54N8O10S

M.W.:
766.92

1 activity values

1 unique targets

Type:
Protein

AlogP:
-2.50

Polar Surface Area:
301.24

HBA:
11

HBD:
10

#RO5 Violations:
3

#Rotatable Bonds:
24

Passes Ro3:
N

QED Weighted:
0.05

DETAILS

ALA339615

Name:
3-Amino-N-[1-(1-{1-[({1-[(1-carbamoyl-3-methylsulfanyl-propylamino)-methyl]Show More⌵

Mol. Formula:
C34H56N8O9S

M.W.:
752.94

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
-2.02

Polar Surface Area:
284.17

HBA:
11

HBD:
10

#RO5 Violations:
3

#Rotatable Bonds:
25

Passes Ro3:
N

QED Weighted:
0.05

DETAILS

ALA100264

Name:
(4-Chloro-phenyl)-(2-morpholin-4-yl-quinazolin-4-yl)-amine

Mol. Formula:
C18H17ClN4O

M.W.:
340.81

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
3.86

Polar Surface Area:
50.28

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA98929

Name:
4-(4-Chloro-phenylamino)-6-isopropyl-2-morpholin-4-yl-5,6-dihydro-pyrrolo[3Show More⌵

Mol. Formula:
C19H22ClN5O2

M.W.:
387.87

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.07

Polar Surface Area:
70.59

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.87

DETAILS