Compounds

ALA5289923

Name:
3-((R)-4-((5S,8R,9S,10S,13R,14S,17R)-10,13-dimethylhexadecahydro-1H-cyclopeShow More⌵

Mol. Formula:
C27H45NO3

M.W.:
431.66

Type:
---

AlogP:
6.04

Polar Surface Area:
66.40

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5209493

Name:
(S)-3-((S)-1-((S)-2-((S)-2-((S)-2-((S)-2-amino-3-(4-hydroxyphenyl)propanamiShow More⌵

Mol. Formula:
C72H95ClN16O17

M.W.:
1492.10

1 activity values

1 unique targets

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5208655

Name:
(S)-3-((S)-1-((S)-3-([1,1'-biphenyl]-4-yl)-2-((S)-2-((S)-2-((S)-2-amino-3-(Show More⌵

Mol. Formula:
C72H95N17O18

M.W.:
1486.65

1 activity values

1 unique targets

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5203641

Name:

Mol. Formula:
C247H328F6N48O51

M.W.:
4899.61

6 activity values

3 unique targets

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5203013

Name:
(S)-3-((S)-1-((S)-3-([1,1'-biphenyl]-4-yl)-2-((S)-2-((S)-2-((S)-2-amino-3-(Show More⌵

Mol. Formula:
C73H98N16O17

M.W.:
1471.68

1 activity values

1 unique targets

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5202336

Name:
(S)-3-((S)-1-((S)-2-((S)-2-((S)-2-((S)-2-amino-3-(4-hydroxyphenyl)propanamiShow More⌵

Mol. Formula:
C73H98N16O17

M.W.:
1471.68

1 activity values

1 unique targets

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5202033

Name:
(S)-3-((S)-1-((S)-3-([1,1'-biphenyl]-4-yl)-2-((S)-2-((S)-2-((S)-2-amino-3-(Show More⌵

Mol. Formula:
C75H102N16O16

M.W.:
1483.74

1 activity values

1 unique targets

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5200977

Name:
(S)-3-((S)-1-((2S,5S,8S,11S)-2-([1,1'-biphenyl]-4-ylmethyl)-11-(4-hydroxybeShow More⌵

Mol. Formula:
C78H106N18O18

M.W.:
1583.81

1 activity values

1 unique targets

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5199397

Name:
1-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-(4-quinaShow More⌵

Mol. Formula:
C28H27F3N6O2

M.W.:
536.56

20 activity values

17 unique targets

Type:
---

AlogP:
5.83

Polar Surface Area:
82.62

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA5195845

Name:
(S)-3-((S)-1-((S)-3-([1,1'-biphenyl]-4-yl)-2-((S)-2-((S)-2-((S)-2-amino-3-(Show More⌵

Mol. Formula:
C71H95N17O16

M.W.:
1442.64

1 activity values

1 unique targets

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5194630

Name:
(S)-3-((S)-1-((S)-3-([1,1'-biphenyl]-4-yl)-2-((S)-2-((S)-2-((S)-2-amino-3-(Show More⌵

Mol. Formula:
C72H96N16O17

M.W.:
1457.65

1 activity values

1 unique targets

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5193114

Name:
(3S)-4-[[(1S)-2-[[(1S)-1-[(2S)-2-[[(1S)-2-[[(1S)-1-[(2S)-2-[[6-amino-5-[[2-Show More⌵

Mol. Formula:
C153H210Cl2N32O38

M.W.:
3176.45

1 activity values

1 unique targets

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5192927

Name:
(S)-3-((S)-1-((S)-2-((S)-2-((S)-2-((S)-2-amino-3-(4-hydroxyphenyl)propanamiShow More⌵

Mol. Formula:
C73H98N16O18

M.W.:
1487.68

1 activity values

1 unique targets

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5192872

Name:
(S)-3-((S)-1-((S)-3-([1,1'-biphenyl]-4-yl)-2-((S)-2-((S)-2-((S)-2-amino-3-(Show More⌵

Mol. Formula:
C72H97N17O16

M.W.:
1456.67

1 activity values

1 unique targets

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5192123

Name:
Targefrin

Mol. Formula:
C85H116F3N19O15

M.W.:
1700.97

6 activity values

1 unique targets

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5188965

Name:
6-[4-[4-[[(5S)-6-amino-5-[[2-[[(2S)-2,6-bis[[2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[Show More⌵

Mol. Formula:
C200H279F6N47O38

M.W.:
4063.71

5 activity values

3 unique targets

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5187055

Name:
(S)-3-((S)-1-((S)-2-((S)-2-((S)-2-((S)-2-amino-3-(4-hydroxyphenyl)propanamiShow More⌵

Mol. Formula:
C73H98N16O17

M.W.:
1471.68

1 activity values

1 unique targets

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5186123

Name:
(S)-3-((S)-1-((S)-3-([1,1'-biphenyl]-4-yl)-2-((S)-2-((S)-2-((S)-2-amino-3-(Show More⌵

Mol. Formula:
C76H98N16O16

M.W.:
1491.72

1 activity values

1 unique targets

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5185590

Name:
(S)-3-((S)-1-((S)-3-([1,1'-biphenyl]-4-yl)-2-((S)-2-((S)-2-((S)-2-amino-3-(Show More⌵

Mol. Formula:
C74H97N17O17

M.W.:
1496.69

1 activity values

1 unique targets

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5184907

Name:
(S)-3-((S)-1-((S)-3-([1,1'-biphenyl]-4-yl)-2-((S)-2-((S)-2-((S)-2-amino-3-(Show More⌵

Mol. Formula:
C75H100N16O17

M.W.:
1497.72

1 activity values

1 unique targets

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS