Compounds

ALA5271789

Name:
(S)-N-(3-(4-((2,6-dichlorobenzyl)oxy)phenyl)-1-oxo-1-((2,2,6,6-tetramethylpShow More⌵

Mol. Formula:
C40H43Cl2N3O3

M.W.:
684.71

Type:
---

AlogP:
8.27

Polar Surface Area:
79.46

HBA:
4

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA5270513

Name:
(2S)-2-[[(1S)-1-carboxy-5-[[4-[[[4-[[[4-[[[2-[4,7,10-tris(carboxymethyl)-1,Show More⌵

Mol. Formula:
C52H68N10O17

M.W.:
1105.17

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5268965

Name:
(8R,10R,12R,14R)-12-hydroxy-4,4,8,10,14-pentamethyl-2-(thiophen-2-ylmethyleShow More⌵

Mol. Formula:
C35H52O3S

M.W.:
552.87

Type:
---

AlogP:
8.70

Polar Surface Area:
46.53

HBA:
4

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA5268818

Name:
(2S)-2-[[(1S)-1-carboxy-5-[[4-[[[4-[[[2-[4,7,10-tris(carboxymethyl)-1,4,7,1Show More⌵

Mol. Formula:
C44H61N9O16

M.W.:
972.02

Type:
---

AlogP:
-1.32

Polar Surface Area:
365.19

HBA:
14

HBD:
11

#RO5 Violations:
3

#Rotatable Bonds:
26

Passes Ro3:
N

QED Weighted:
0.05

DETAILS

ALA5268201

Name:
4-[3-[4-[2-(2,6-dioxo-3-piperidyl)-1,3-dioxo-isoindolin-4-yl]oxybutyl]-4,4-Show More⌵

Mol. Formula:
C30H26F3N5O6S

M.W.:
641.63

Type:
---

AlogP:
3.55

Polar Surface Area:
140.12

HBA:
8

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA5282521

Name:
(2S)-2-[[(1S)-1-carboxy-5-[[3-(1-naphthyl)-2-[6-[[2-[4,7,10-tris(carboxymetShow More⌵

Mol. Formula:
C47H69N9O16

M.W.:
1016.12

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5280483

Name:
(2S)-2-[[(1S)-1-carboxy-5-[[4-[[[3-(1-naphthyl)-2-[[2-[4,7,10-tris(carboxymShow More⌵

Mol. Formula:
C49H71N9O16

M.W.:
1042.15

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5279851

Name:
(2S)-2-[[(1S)-1-carboxy-5-[[4-[[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetShow More⌵

Mol. Formula:
C36H54N8O15

M.W.:
838.87

Type:
---

AlogP:
-2.25

Polar Surface Area:
336.09

HBA:
13

HBD:
10

#RO5 Violations:
3

#Rotatable Bonds:
23

Passes Ro3:
N

QED Weighted:
0.05

DETAILS

ALA5279511

Name:
(2S)-2-[[(1S)-1-carboxy-5-[[4-[[[4-[[[4-[[[4-[[[2-[4,7,10-tris(carboxymethyShow More⌵

Mol. Formula:
C60H75N11O18

M.W.:
1238.32

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5274822

Name:
(2S)-2-[[(1S)-1-carboxy-5-[[3-(1-naphthyl)-2-[[4-[[[2-[4,7,10-tris(carboxymShow More⌵

Mol. Formula:
C49H71N9O16

M.W.:
1042.15

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5273416

Name:
(2S)-2-[[(1S)-1-carboxy-5-[[3-(1-naphthyl)-2-[[4-[[[2-[4,7,10-tris(carboxymShow More⌵

Mol. Formula:
C49H65N9O16

M.W.:
1036.11

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5273028

Name:
1-((3S,7S,25S,28S)-28-((3-(4-(4-(((2R,3S)-1-(((2aR,4S,4aS,6R,9S,11S,12S,12aShow More⌵

Mol. Formula:
C128H163ClN14O34S2

M.W.:
2541.36

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5285989

Name:
(2S)-2-[[(1S)-1-carboxy-6-[[4-[[[4-[[[2-[4,7,10-tris(carboxymethyl)-1,4,7,1Show More⌵

Mol. Formula:
C45H69N9O16

M.W.:
992.09

Type:
---

AlogP:
-0.94

Polar Surface Area:
365.19

HBA:
14

HBD:
11

#RO5 Violations:
3

#Rotatable Bonds:
27

Passes Ro3:
N

QED Weighted:
0.05

DETAILS

ALA5285964

Name:
(8R,10R,12R,14R)-12-hydroxy-4,4,8,10,14-pentamethyl-2-((4-(trifluoromethyl)Show More⌵

Mol. Formula:
C38H53F3O3

M.W.:
614.83

Type:
---

AlogP:
9.66

Polar Surface Area:
46.53

HBA:
3

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA5284087

Name:
5a,9a-dihydrospiro[benzo[b]fluorene-11,1'-isoindoline]-3',5,10-trione

Mol. Formula:
C24H15NO3

M.W.:
365.39

Type:
---

AlogP:
2.95

Polar Surface Area:
63.24

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA5289455

Name:
5',6'-dichloro-5a,9a-dihydrospiro[benzo[b]fluorene-11,1'-isoindoline]-3',5,Show More⌵

Mol. Formula:
C24H13Cl2NO3

M.W.:
434.28

Type:
---

AlogP:
4.26

Polar Surface Area:
63.24

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA5287354

Name:
3-chloro-5a,9a-dihydrospiro[benzo[b]fluorene-11,1'-isoindoline]-3',5,10-triShow More⌵

Mol. Formula:
C24H14ClNO3

M.W.:
399.83

Type:
---

AlogP:
3.60

Polar Surface Area:
63.24

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA5267636

Name:
(2S)-2-[[(1S)-1-carboxy-5-[[4-[[[4-[[[2-[4,7,10-tris(carboxymethyl)-1,4,7,1Show More⌵

Mol. Formula:
C44H73N9O16

M.W.:
984.12

Type:
---

AlogP:
-1.34

Polar Surface Area:
365.19

HBA:
14

HBD:
11

#RO5 Violations:
3

#Rotatable Bonds:
26

Passes Ro3:
N

QED Weighted:
0.04

DETAILS

ALA5266444

Name:
(2S)-2-[[(1S)-1-carboxy-5-[[4-[[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetShow More⌵

Mol. Formula:
C36H60N8O15

M.W.:
844.92

Type:
---

AlogP:
-2.26

Polar Surface Area:
336.09

HBA:
13

HBD:
10

#RO5 Violations:
3

#Rotatable Bonds:
23

Passes Ro3:
N

QED Weighted:
0.05

DETAILS

ALA5266356

Name:
(8R,10R,12R,14R)-12-hydroxy-2-((4-hydroxybenzylidene)-4,4,8,10,14-pentamethShow More⌵

Mol. Formula:
C37H54O4

M.W.:
562.84

Type:
---

AlogP:
8.35

Polar Surface Area:
66.76

HBA:
4

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.36

DETAILS