Compounds

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4591922

Name:
NA

Mol. Formula:
C46H56F9N9O12S

M.W.:
1130.05

6 activity values

6 unique targets

Type:
Unknown

AlogP:
1.93

Polar Surface Area:
218.92

HBA:
9

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA4589217

Name:
(2S)-2-acetamido-6-amino-N-[(1S)-1-[[(1S)-2-[[(1S)-1-formyl-4-guanidino-butShow More⌵

Mol. Formula:
C28H46N8O8S

M.W.:
654.79

Type:
Unknown

AlogP:
-2.08

Polar Surface Area:
275.76

HBA:
10

HBD:
9

#RO5 Violations:
2

#Rotatable Bonds:
21

Passes Ro3:
N

QED Weighted:
0.03

DETAILS

ALA4585149

Name:
NA

Mol. Formula:
C72H108N22O18S2

M.W.:
1633.93

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4583612

Name:
NA

Mol. Formula:
C44H60F9N9O12S

M.W.:
1110.06

6 activity values

6 unique targets

Type:
Unknown

AlogP:
1.23

Polar Surface Area:
207.10

HBA:
9

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA4582882

Name:
7-(4-((S)-2-((1r,4S)-4-(aminomethyl)cyclohexanecarboxamido)-3-(7-chloro-2-oShow More⌵

Mol. Formula:
C35H35ClN6O6

M.W.:
671.15

3 activity values

3 unique targets

Type:
Unknown

AlogP:
4.46

Polar Surface Area:
203.03

HBA:
6

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA4580142

Name:
NA

Mol. Formula:
C74H111N21O19S2

M.W.:
1662.96

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4579797

Name:
NA

Mol. Formula:
C79H121N25O19S2

M.W.:
1789.13

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4576519

Name:
4'-((S)-2-((1r,4S)-4-(aminomethyl)cyclohexanecarboxamido)-3-(4-chloro-1H-inShow More⌵

Mol. Formula:
C35H41ClN6O3

M.W.:
629.21

Type:
Unknown

AlogP:
5.76

Polar Surface Area:
142.00

HBA:
5

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA4571212

Name:
NA

Mol. Formula:
C46H48F9N9O12S

M.W.:
1121.99

6 activity values

6 unique targets

Type:
Unknown

AlogP:
1.41

Polar Surface Area:
218.92

HBA:
9

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA4570952

Name:
5-(4-((S)-2-((1r,4S)-4-(aminomethyl)cyclohexanecarboxamido)-3-(7-chloro-2-oShow More⌵

Mol. Formula:
C34H39ClN6O5

M.W.:
647.18

Type:
Unknown

AlogP:
4.71

Polar Surface Area:
172.21

HBA:
7

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA4563203

Name:
NA

Mol. Formula:
C72H108N20O18S2

M.W.:
1605.91

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4560508

Name:
(13S,16R)-N-(4-(Aminomethyl)benzyl)-3,9,15-trioxo-16-(phenylsulfonamido)-2,Show More⌵

Mol. Formula:
C48H53F9N8O12S

M.W.:
1137.05

12 activity values

7 unique targets

Type:
Unknown

AlogP:
2.37

Polar Surface Area:
195.07

HBA:
9

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA4558203

Name:
NA

Mol. Formula:
C72H107N23O18S2

M.W.:
1646.93

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4553652

Name:
(13S,16R)-N-(4-(Aminomethyl)benzyl)-16-((N-cyclohexylsulfamoyl)amino)-3,9,1Show More⌵

Mol. Formula:
C48H60F9N9O12S

M.W.:
1158.11

10 activity values

7 unique targets

Type:
Unknown

AlogP:
2.15

Polar Surface Area:
207.10

HBA:
9

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA4550948

Name:
NA

Mol. Formula:
C67H105N21O18S2

M.W.:
1556.84

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4550530

Name:
benzyl (S)-5-((1r,4S)-4-(aminomethyl)cyclohexanecarboxamido)-7-(4-benzoylphShow More⌵

Mol. Formula:
C36H43N3O6

M.W.:
613.76

Type:
Unknown

AlogP:
5.21

Polar Surface Area:
136.82

HBA:
7

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA4544648

Name:
(S)-6-amino-2-((S)-2-((2R,3R)-2-amino-3-methylpentanamido)-3-phenylpropanamShow More⌵

Mol. Formula:
C34H43N5O4

M.W.:
585.75

Type:
Unknown

AlogP:
3.57

Polar Surface Area:
156.41

HBA:
6

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA4541084

Name:
ethyl 5-(4-((S)-3-(4-(2H-tetrazol-5-yl)phenylamino)-2-((1r,4S)-4-(aminomethShow More⌵

Mol. Formula:
C33H38N8O4

M.W.:
610.72

Type:
Unknown

AlogP:
3.84

Polar Surface Area:
177.87

HBA:
9

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA4539788

Name:
(1r,4S)-4-(aminomethyl)-N-((S)-3-(2'-methyl-4'-(pyrrolidin-1-ylsulfonyl)bipShow More⌵

Mol. Formula:
C35H42N6O5S

M.W.:
658.82