Compounds

Type:
Small molecule

AlogP:
6.83

Polar Surface Area:
93.45

HBA:
5

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA3736319

Name:
(S)-4'-[[4-methyl-6-((2-methoxy-1-phenylethyl)carbamoyl)-2-n-propyl-1H-benzShow More⌵

Mol. Formula:
C35H35N3O4

M.W.:
561.68

Type:
Small molecule

AlogP:
6.83

Polar Surface Area:
93.45

HBA:
5

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA3735839

Name:
(R)-N-(2-hydroxy-1-phenylethyl)-1-[2'-(1H-tetrazol-5-yl)-1,1'-biphenyl-4-ylShow More⌵

Mol. Formula:
C34H33N7O2

M.W.:
571.69

Type:
Small molecule

AlogP:
5.66

Polar Surface Area:
121.61

HBA:
7

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA3734949

Name:
(S)-N-(2-hydroxy-1-phenylethyl)-1-[2'-(1H-tetrazol-5-yl)-1,1'-biphenyl-4-ylShow More⌵

Mol. Formula:
C34H33N7O2

M.W.:
571.69

Type:
Small molecule

AlogP:
5.66

Polar Surface Area:
121.61

HBA:
7

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA3736336

Name:
(R)-4'-[[4-methyl-6-((2-hydroxy-1-phenylethyl)carbamoyl)-2-n-propyl-1H-benzShow More⌵

Mol. Formula:
C34H33N3O4

M.W.:
547.66

Type:
Small molecule

AlogP:
6.17

Polar Surface Area:
104.45

HBA:
5

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA3735492

Name:
(S)-4'-[[4-methyl-6-((2-hydroxy-1-phenylethyl)carbamoyl)-2-n-propyl-1H-benzShow More⌵

Mol. Formula:
C34H33N3O4

M.W.:
547.66

Type:
Small molecule

AlogP:
6.17

Polar Surface Area:
104.45

HBA:
5

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA3275932

Name:
(2S,5S,8S,11S,14S,17S)-2-((1H-imidazol-5-yl)methyl)-17-((S)-2-(5-azido-2-niShow More⌵

Mol. Formula:
C63H84N18O16

M.W.:
1349.47

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3275931

Name:
(2S,5S,8S,11S,14S,17S)-2-((1H-imidazol-5-yl)methyl)-5-sec-butyl-1-((S)-2-((Show More⌵

Mol. Formula:
C66H81N13O14

M.W.:
1280.45

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3275930

Name:
N-(9-(4-(3-((2S,5S,8S,11S,14S,17S)-2-((1H-imidazol-5-yl)methyl)-5-sec-butylShow More⌵

Mol. Formula:
C74H93N16O13S+

M.W.:
1446.72

Type:
Protein

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3275929

Name:
5-(3-((2S,5S,8S,11S,14S,17S)-2-((1H-imidazol-5-yl)methyl)-19-amino-1-((S)-2Show More⌵

Mol. Formula:
C70H81N15O16S

M.W.:
1420.57

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3275928

Name:
(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-Show More⌵

Mol. Formula:
C57H74N14O13

M.W.:
1163.30

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3249035

Name:
4-((6S,9S,12R)-12-((S)-1-((S)-1-((S)-2-((S)-1-carboxy-2-phenylethylcarbamoyShow More⌵

Mol. Formula:
C48H68N15O9+

M.W.:
999.17

Type:
Protein

AlogP:
-0.30

Polar Surface Area:
362.97

HBA:
12

HBD:
12

#RO5 Violations:
3

#Rotatable Bonds:
27

Passes Ro3:
N

QED Weighted:
0.02

DETAILS

ALA3249034

Name:
(S)-2-((S)-1-((6S,9S,12R,15S,18S)-18-((1H-imidazol-5-yl)methyl)-12-(4-azidoShow More⌵

Mol. Formula:
C48H68N16O9

M.W.:
1013.17

Type:
Protein

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3249033

Name:
(S)-2-((S)-1-((6S,9S,12R,15S,18S)-18-((1H-imidazol-5-yl)methyl)-12-(4-aminoShow More⌵

Mol. Formula:
C48H68I2N14O9

M.W.:
1238.97

Type:
Protein

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3249030

Name:
(S)-2-((S)-1-((6S,9S,12R,15S,18S)-18-((1H-imidazol-5-yl)methyl)-12-(4-aminoShow More⌵

Mol. Formula:
C48H70N14O9

M.W.:
987.18

Type:
Protein

AlogP:
-1.20

Polar Surface Area:
360.84

HBA:
12

HBD:
13

#RO5 Violations:
3

#Rotatable Bonds:
27

Passes Ro3:
N

QED Weighted:
0.02

DETAILS

ALA2425239

Name:
N-(4'-((3-butyl-5-oxo-1-(2-(trifluoromethyl)phenyl)-1H-1,2,4-triazol-4(5H)-Show More⌵

Mol. Formula:
C28H25F3N8O4S

M.W.:
626.62

Type:
Small molecule

AlogP:
4.04

Polar Surface Area:
146.66

HBA:
11

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA2425138

Name:
N-(4'-((3-butyl-1-(2-methyl-5-pentanamidophenyl)-5-oxo-1H-1,2,4-triazol-4(5Show More⌵

Mol. Formula:
C38H40ClN5O5S

M.W.:
714.29

Type:
Small molecule

AlogP:
7.30

Polar Surface Area:
132.16

HBA:
8

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA2237877

Name:
2-(4-((3-butyl-5-mercapto-4H-1,2,4-triazol-4-yl)methyl)phenylcarbamoyl)benzShow More⌵

Mol. Formula:
C21H22N4O3S

M.W.:
410.50

Type:
Small molecule

AlogP:
3.91

Polar Surface Area:
97.11

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA2237612

Name:
N-(4-((3-butyl-5-(4-methoxybenzylamino)-4H-1,2,4-triazol-4-yl)methyl)phenylShow More⌵

Mol. Formula:
C29H31N9O2

M.W.:
537.63

Type:
Small molecule

AlogP:
4.72

Polar Surface Area:
135.53

HBA:
9

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA2237611

Name:
N-(4-((3-butyl-5-(4-chlorobenzylamino)-4H-1,2,4-triazol-4-yl)methyl)phenyl)Show More⌵

Mol. Formula:
C28H28ClN9O

M.W.:
542.05