Compounds

Type:
Unknown

AlogP:
5.60

Polar Surface Area:
157.98

HBA:
7

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA4585947

Name:
3-((2S,5S,8S,11S,14S,17S,20S,32S,Z)-8-((1H-indol-3-yl)methyl)-32-((S)-2-((2Show More⌵

Mol. Formula:
C87H125N17O21

M.W.:
1745.05

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4548664

Name:
(2S)-2-[[(3S,6S,9S,12S,20S)-12-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-acetamido-4-meShow More⌵

Mol. Formula:
C132H196N40O31

M.W.:
2839.27

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4218235

Name:
(4S,7S,10S,13S)-13-((2S,3R)-1-((S)-1-((3S,6S,9S,12S,15S,18S,21R,33S,E)-12-(Show More⌵

Mol. Formula:
C104H172N34O22

M.W.:
2250.74

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4217707

Name:
(S)-4-((2S,5S,8S,11S,14S,17S,20S,32R)-8-((1H-indol-3-yl)methyl)-32-((6S,9S,Show More⌵

Mol. Formula:
C106H175N35O22

M.W.:
2291.79

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4215636

Name:
(6S,9S,12S,15S)-15-((S)-1-((S)-1-((3S,6S,9S,12S,15S,18S,21R,33S)-12-((1H-inShow More⌵

Mol. Formula:
C103H167N35O24

M.W.:
2279.69

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4213828

Name:
(4S,7S,10S,13S)-13-((2S,3R)-1-((S)-1-((3S,6S,9S,12S,15S,18S,21R,33S)-12-((1Show More⌵

Mol. Formula:
C98H168N34O22

M.W.:
2174.64

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4213299

Name:
(4S,7S,10S,13S)-13-((2S,3R)-1-((S)-1-((3S,6S,9S,12S,15S,18S,21R,33S)-12-((1Show More⌵

Mol. Formula:
C104H171N35O23

M.W.:
2279.73

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4211203

Name:
(S)-2-((2S,5S,8S,11S,14S,17S,20S,32R)-8-((1H-indol-3-yl)methyl)-2-(2-amino-Show More⌵

Mol. Formula:
C98H153N25O25

M.W.:
2081.45

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4208903

Name:
(4S,7S,10S,13S)-13-((2S,3R)-1-((S)-1-((3S,6S,9S,12S,15S,18S,21R,33S)-12-((1Show More⌵

Mol. Formula:
C106H176N34O22

M.W.:
2278.79

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4205990

Name:
(6S,9S,12S,15S)-15-((S)-1-((S)-1-((3S,6S,9S,12S,15S,18S,21R,33S,E)-12-((1H-Show More⌵

Mol. Formula:
C104H171N35O23

M.W.:
2279.73

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4204388

Name:
(S)-4-((2S,5S,8S,11S,14S,17S,20S,32R)-8-((1H-indol-3-yl)methyl)-32-((6S,9S,Show More⌵

Mol. Formula:
C102H165N35O24

M.W.:
2265.66

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3627749

Name:
(2S)-5-[4-(4-{[(tert-butoxy)carbonyl]amino}methylphenyl)-1H-1,2,3-triazol-1Show More⌵

Mol. Formula:
C33H35N5O6

M.W.:
597.67

Type:
Small molecule

AlogP:
6.06

Polar Surface Area:
144.67

HBA:
8

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA3627748

Name:
(2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-5-[4-(4-methoxyphenyl)-1H-Show More⌵

Mol. Formula:
C29H28N4O5

M.W.:
512.57

Type:
Small molecule

AlogP:
4.73

Polar Surface Area:
115.57

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA3627747

Name:
(2S)-5-[4-(4-iodophenyl)-1H-1,2,3-triazol-1-yl]-2-{[(9H-fluoren-9-ylmethoxyShow More⌵

Mol. Formula:
C28H25IN4O4

M.W.:
608.44

Type:
Small molecule

AlogP:
5.32

Polar Surface Area:
106.34

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA3627746

Name:
(2S)-5-[4-(4-bromophenyl)-1H-1,2,3-triazol-1-yl]-2-{[(9H-fluoren-9-ylmethoxShow More⌵

Mol. Formula:
C28H25BrN4O4

M.W.:
561.44

Type:
Small molecule

AlogP:
5.48

Polar Surface Area:
106.34

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA3604658

Name:
(rac)-1-(4-chlorophenyl)-6,7-diethoxy-2-(4-methoxyphenyl)-1,2-dihydroisoquiShow More⌵

Mol. Formula:
C26H26ClNO4

M.W.:
451.95

3 activity values

Type:
Small molecule

AlogP:
5.82

Polar Surface Area:
48.00

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA3601321

Name:
(trans)-7-((R)-sec-Butoxy)-1-(4-chloro-phenyl)-2-{4-[(4-dimethylamino-cycloShow More⌵

Mol. Formula:
C36H46ClN3O3

M.W.:
604.24

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
7.76

Polar Surface Area:
45.25

HBA:
5

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA3601320

Name:
(trans)-2-{4-[(4-Amino-cyclohexylmethyl)-methyl-amino]-phenyl}-7-((R)-sec-bShow More⌵

Mol. Formula:
C34H42ClN3O3

M.W.:
576.18

4 unique targets

Type:
Small molecule

AlogP:
7.16

Polar Surface Area:
68.03

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA3601319

Name:
7-((R)-sec-Butoxy)-1-(4-chloro-phenyl)-6-methoxy-2-[4-(methyl-piperidin-4-yShow More⌵

Mol. Formula:
C33H40ClN3O3

M.W.:
562.15