Compounds

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4174537

Name:
(R)-6-amino-2-(4-(2-((R)-2-((S)-2-amino-3-(4-hydroxyphenyl)propanoyl)-1,2,3Show More⌵

Mol. Formula:
C31H42N6O7

M.W.:
610.71

3 unique targets

Type:
Small molecule

AlogP:
-0.07

Polar Surface Area:
217.18

HBA:
8

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA4171099

Name:
(3S,6R,23R)-39-((R)-2-((S)-2-amino-3-(4-hydroxyphenyl)propanoyl)-1,2,3,4-teShow More⌵

Mol. Formula:
C80H101N13O15

M.W.:
1484.76

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4167726

Name:
(3S,6R,20R)-20-(4-(2-((R)-2-((S)-2-amino-3-(4-hydroxyphenyl)propanoyl)-1,2,Show More⌵

Mol. Formula:
C72H86N12O14

M.W.:
1343.55

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4166622

Name:
2-((S)-2-amino-3-(4-hydroxyphenyl)propanoyl)-1,2,3,4-tetrahydroisoquinolineShow More⌵

Mol. Formula:
C19H20N2O4

M.W.:
340.38

9 activity values

Type:
Small molecule

AlogP:
1.30

Polar Surface Area:
103.86

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4164277

Name:
(3S,6R,16R)-16-(2-(2-((R)-2-((S)-2-amino-3-(4-hydroxyphenyl)propanoyl)-1,2,Show More⌵

Mol. Formula:
C67H77N11O13

M.W.:
1244.42

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4163178

Name:
(3S,6R,31R)-50-((R)-2-((S)-2-amino-3-(4-hydroxyphenyl)propanoyl)-1,2,3,4-teShow More⌵

Mol. Formula:
C88H114N16O18

M.W.:
1683.97

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4159810

Name:
(3S,6R,22R)-22-(5-(2-((R)-2-((S)-2-amino-3-(4-hydroxyphenyl)propanoyl)-1,2,Show More⌵

Mol. Formula:
C75H92N12O14

M.W.:
1385.63

30 activity values

6 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA1162931

Name:
1-3-[4-(tert-butyl) phenyl]-5-N,N-dimethylamino-(1,2,4-triazol-4-yl)]-4-pheShow More⌵

Mol. Formula:
C20H24N4O

M.W.:
336.44

Type:
Small molecule

AlogP:
4.00

Polar Surface Area:
54.18

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA211284

Name:
1-3-[4-(tert-butyl) phenyl]-(1,2,4-triazol-4-yl)]-3-phenol

Mol. Formula:
C18H19N3O

M.W.:
293.37

Type:
Small molecule

AlogP:
3.94

Polar Surface Area:
50.94

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA377340

Name:
1-{3-[3-(tert-butyl) phenyl]-(1,2,4-triazol-4-yl)]-3-phenol

Mol. Formula:
C18H19N3O

M.W.:
293.37

8 activity values

5 unique targets

Type:
Small molecule

AlogP:
3.94

Polar Surface Area:
50.94

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA379092

Name:
1-3-[3-(tert-butyl) phenyl]-(1,2,4-triazol-4-yl)]-3-methoxybenzene

Mol. Formula:
C19H21N3O

M.W.:
307.40

Type:
Small molecule

AlogP:
4.24

Polar Surface Area:
39.94

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA211673

Name:
1-{3-[4-(tert-butyl)phenyl]-5-N,N-dimethylamino-(1,2,4-triazol-4-yl)}-3-metShow More⌵

Mol. Formula:
C21H26N4O

M.W.:
350.47