Compounds

ALA5272597

Name:
(3S,3'S,4S,4'S)-1,1'-(but-2-ynedioyl)bis(N3,N4-bis((1S,2R)-2-phenylcycloproShow More⌵

Mol. Formula:
C52H52N6O6

M.W.:
857.02

Type:
---

AlogP:
3.83

Polar Surface Area:
157.02

HBA:
6

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA5272395

Name:
(3S,3'S,4S,4'S)-1,1'-(hex-3-enedioyl)bis(N3,N4-bis((1S,2R)-2-phenylcycloproShow More⌵

Mol. Formula:
C54H58N6O6

M.W.:
887.09

Type:
---

AlogP:
5.16

Polar Surface Area:
157.02

HBA:
6

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA5272215

Name:
(3S)-4-[[(1S)-1-[[(1S)-2-amino-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]carbShow More⌵

Mol. Formula:
C84H149N13O14S

M.W.:
1597.26

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5271770

Name:
(3S,3'S,4S,4'S)-1,1'-(naphthalene-1,5-dicarbonyl)bis(N3,N4-bis((1S,2R)-2-phShow More⌵

Mol. Formula:
C60H58N6O6

M.W.:
959.16

Type:
---

AlogP:
6.91

Polar Surface Area:
157.02

HBA:
6

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA5270734

Name:
(3S,3'S,4S,4'S)-1,1'-(2,5-dimethylterephthaloyl)bis(N3,N4-bis((1S,2R)-2-pheShow More⌵

Mol. Formula:
C58H60N6O6

M.W.:
937.15

Type:
---

AlogP:
6.37

Polar Surface Area:
157.02

HBA:
6

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA5270716

Name:
(3S,4S)-1-[4-[(3S,4S)-3,4-bis[2-(4-fluorophenyl)ethylcarbamoyl]pyrrolidine-Show More⌵

Mol. Formula:
C52H52F4N6O7

M.W.:
949.01

Type:
---

AlogP:
4.76

Polar Surface Area:
177.25

HBA:
7

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA5270695

Name:
(3S,3'S,4S,4'S)-1,1'-terephthaloylbis(N3,N4-dibutylpyrrolidine-3,4-dicarboxShow More⌵

Mol. Formula:
C36H56N6O6

M.W.:
668.88

Type:
---

AlogP:
2.73

Polar Surface Area:
157.02

HBA:
6

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA5270396

Name:
(3S,3'S,4S,4'S)-1,1'-(2-aminoterephthaloyl)bis(N3,N4-bis((1S,2R)-2-phenylcyShow More⌵

Mol. Formula:
C56H57N7O6

M.W.:
924.12

Type:
---

AlogP:
5.33

Polar Surface Area:
183.04

HBA:
7

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA5269956

Name:
methyl (3S,4S)-1-[4-[(3S,4S)-3-methoxycarbonyl-4-[[(1R,2S)-2-phenylcycloproShow More⌵

Mol. Formula:
C40H42N4O8

M.W.:
706.80

Type:
---

AlogP:
2.75

Polar Surface Area:
151.42

HBA:
8

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA5269943

Name:
(3S,4S)-1-[(E)-4-[(3S,4S)-3,4-bis[2-(4-fluorophenyl)ethylcarbamoyl]pyrrolidShow More⌵

Mol. Formula:
C48H50F4N6O6

M.W.:
882.96

Type:
---

AlogP:
3.68

Polar Surface Area:
157.02

HBA:
6

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA5269670

Name:
(3S,4S)-N3,N4-dibutyl-1-[4-[(3S,4S)-4-[[(1S,2R)-2-phenylcyclopropyl]carbamoShow More⌵

Mol. Formula:
C46H56N6O6

M.W.:
788.99

Type:
---

AlogP:
4.24

Polar Surface Area:
157.02

HBA:
6

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA5268745

Name:
(3S,4S)-N3-((1R,2S)-2-phenylcyclopropyl)-N4-((1S,2R)-2-phenylcyclopropyl)-1Show More⌵

Mol. Formula:
C50H54N6O6

M.W.:
835.02

Type:
---

AlogP:
4.61

Polar Surface Area:
157.02

HBA:
6

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA5268164

Name:
(3S,3'S,4S,4'S)-1,1'-(2-(prop-2-yn-1-ylamino)terephthaloyl)bis(N3,N4-bis((1Show More⌵

Mol. Formula:
C59H59N7O6

M.W.:
962.16

Type:
---

AlogP:
5.80

Polar Surface Area:
169.05

HBA:
7

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA5268056

Name:
(3S,4S)-1-[2-[2-[(3S,4S)-3,4-bis[2-(4-fluorophenyl)ethylcarbamoyl]pyrrolidiShow More⌵

Mol. Formula:
C48H52F4N6O7

M.W.:
900.97

Type:
---

AlogP:
3.14

Polar Surface Area:
166.25

HBA:
7

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
20

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA5267977

Name:
(3S,4S)-1-(4-((3S,4S)-3,4-bis(hexadecylcarbamoyl)pyrrolidine-1-carbonyl)benShow More⌵

Mol. Formula:
C70H104N6O6

M.W.:
1125.64

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5282603

Name:
(3S,3'S,4S,4'S)-1,1'-fumaroylbis(N3,N4-bis((1S,2R)-2-phenylcyclopropyl)pyrrShow More⌵

Mol. Formula:
C52H54N6O6

M.W.:
859.04

Type:
---

AlogP:
4.38

Polar Surface Area:
157.02

HBA:
6

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA5282447

Name:
Rac-(3S,4S)-1-[4-[(3S,4S)-3,4-bis[2-[4-(trifluoromethyl)phenyl]ethylcarbamoShow More⌵

Mol. Formula:
C56H52F12N6O6

M.W.:
1133.04

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5282055

Name:
(3S)-3-[[(2S)-1-[(2S)-5-amino-2-[[(2R)-3-[2,3-di(hexadecanoyloxy)propylsulfShow More⌵

Mol. Formula:
C83H145N11O15S

M.W.:
1569.20

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5281226

Name:
(3S,4S)-N3-octyl-N4-((1S,2R)-2-phenylcyclopropyl)-1-(4-((3S,4S)-3-(((1R,2S)Show More⌵

Mol. Formula:
C55H64N6O6

M.W.:
905.15

Type:
---

AlogP:
6.56

Polar Surface Area:
157.02

HBA:
6

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
19

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA5280705

Name:
(3S,3'S,4S,4'S)-1,1'-terephthaloylbis(N3,N4-ditetradecylpyrrolidine-3,4-dicShow More⌵

Mol. Formula:
C76H136N6O6

M.W.:
1229.96

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS