Compounds

Type:
Unknown

AlogP:
0.71

Polar Surface Area:
319.74

HBA:
10

HBD:
11

#RO5 Violations:
2

#Rotatable Bonds:
24

Passes Ro3:
N

QED Weighted:
0.04

DETAILS

ALA4792481

Name:
(2R)-N1-((2S,5S,8S,11S)-5-((1H-indol-3-yl)methyl)-8-(4-aminobutyl)-14-carbaShow More⌵

Mol. Formula:
C45H57N11O8

M.W.:
880.02

7 activity values

3 unique targets

Type:
Unknown

AlogP:
0.03

Polar Surface Area:
335.53

HBA:
10

HBD:
12

#RO5 Violations:
2

#Rotatable Bonds:
24

Passes Ro3:
N

QED Weighted:
0.04

DETAILS

ALA4792095

Name:
(S)-N1-((2R,5S,8S,11S,14S)-11-((1H-indol-3-yl)methyl)-1-amino-8-(4-aminobutShow More⌵

Mol. Formula:
C44H54N12O10S

M.W.:
943.06

Type:
Unknown

AlogP:
-0.54

Polar Surface Area:
378.67

HBA:
13

HBD:
13

#RO5 Violations:
3

#Rotatable Bonds:
25

Passes Ro3:
N

QED Weighted:
0.02

DETAILS

ALA4789784

Name:
(S)-6-amino-N-((S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl)-2-((S)-2-(Show More⌵

Mol. Formula:
C35H43N7O5

M.W.:
641.77

Type:
Unknown

AlogP:
1.30

Polar Surface Area:
218.45

HBA:
7

HBD:
8

#RO5 Violations:
2

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA4789420

Name:
(S)-N1-((3S,6R,9S,12S,15S,18S,21S)-15-((1H-indol-3-yl)methyl)-12-(4-aminobuShow More⌵

Mol. Formula:
C53H74N12O10S

M.W.:
1071.32

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4788762

Name:
(2S)-N1-((5S,8S,11S)-5-((1H-indol-3-yl)methyl)-8-(4-aminobutyl)-14-carbamoyShow More⌵

Mol. Formula:
C47H58N10O8

M.W.:
891.04

Type:
Unknown

AlogP:
0.71

Polar Surface Area:
319.74

HBA:
10

HBD:
11

#RO5 Violations:
2

#Rotatable Bonds:
24

Passes Ro3:
N

QED Weighted:
0.04

DETAILS

ALA4786585

Name:
(3S,6S,9S,12S,15S,18S)-12,15-bis((1H-indol-3-yl)methyl)-18,20-diamino-9-(4-Show More⌵

Mol. Formula:
C45H55N11O10

M.W.:
910.00

Type:
Unknown

AlogP:
-0.90

Polar Surface Area:
372.83

HBA:
11

HBD:
13

#RO5 Violations:
3

#Rotatable Bonds:
25

Passes Ro3:
N

QED Weighted:
0.03

DETAILS

ALA4783832

Name:
(S)-6-amino-N-((S)-1-((R)-1-amino-3-mercapto-1-oxopropan-2-ylamino)-3-(4-hyShow More⌵

Mol. Formula:
C38H48N8O6S

M.W.:
744.92

Type:
Unknown

AlogP:
0.71

Polar Surface Area:
247.55

HBA:
9

HBD:
10

#RO5 Violations:
2

#Rotatable Bonds:
20

Passes Ro3:
N

QED Weighted:
0.05

DETAILS

ALA4783820

Name:
(2S)-N1-((2S,5S,8S,11S)-5-((1H-indol-3-yl)methyl)-8-(4-aminobutyl)-14-carbaShow More⌵

Mol. Formula:
C45H57N11O8

M.W.:
880.02

Type:
Unknown

AlogP:
0.03

Polar Surface Area:
335.53

HBA:
10

HBD:
12

#RO5 Violations:
2

#Rotatable Bonds:
24

Passes Ro3:
N

QED Weighted:
0.04

DETAILS

ALA4783104

Name:
(S)-N1-((2S,5S,8S,11S,14S,15R)-5-((1H-indol-3-yl)methyl)-8-(4-aminobutyl)-1Show More⌵

Mol. Formula:
C45H57N11O9

M.W.:
896.02

Type:
Unknown

AlogP:
-1.00

Polar Surface Area:
355.76

HBA:
11

HBD:
13

#RO5 Violations:
3

#Rotatable Bonds:
24

Passes Ro3:
N

QED Weighted:
0.03

DETAILS

ALA4780893

Name:
(S)-6-amino-N-((S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl)-2-((S)-2-(Show More⌵

Mol. Formula:
C38H48N8O6S

M.W.:
744.92

Type:
Unknown

AlogP:
0.71

Polar Surface Area:
247.55

HBA:
9

HBD:
10

#RO5 Violations:
2

#Rotatable Bonds:
20

Passes Ro3:
N

QED Weighted:
0.05

DETAILS

ALA4780734

Name:
(S)-N1-((4R,7S,10S,13S,16S,19R)-13-((1H-indol-3-yl)methyl)-4-((S)-1-amino-3Show More⌵

Mol. Formula:
C51H68N12O10S2

M.W.:
1073.31

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4778562

Name:
(S)-N1-((2S,5S,8S,11S,14S)-11-((1H-indol-3-yl)methyl)-1-amino-8-(4-aminobutShow More⌵

Mol. Formula:
C44H55N11O9

M.W.:
881.99

Type:
Unknown

AlogP:
-1.38

Polar Surface Area:
355.76

HBA:
11

HBD:
13

#RO5 Violations:
3

#Rotatable Bonds:
24

Passes Ro3:
N

QED Weighted:
0.03

DETAILS

ALA4777970

Name:
(S)-4-((4R,7S,10S,13S,16S,19R)-13-((1H-indol-3-yl)methyl)-4-((S)-1-amino-3-Show More⌵

Mol. Formula:
C50H65N11O11S2

M.W.:
1060.27

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4777923

Name:
5-((2S,5S,8S,11S,14S)-8,11-bis((1H-indol-3-yl)methyl)-14,16-diamino-2-((R)-Show More⌵

Mol. Formula:
C44H55N11O11S2

M.W.:
978.12

Type:
Unknown

AlogP:
-1.20

Polar Surface Area:
389.90

HBA:
13

HBD:
14

#RO5 Violations:
3

#Rotatable Bonds:
25

Passes Ro3:
N

QED Weighted:
0.02

DETAILS

ALA4762329

Name:
(S)-6-amino-2-((S)-2-((S)-2-((S)-2-((2S,3R)-2-amino-3-hydroxybutanamido)-3-Show More⌵

Mol. Formula:
C52H73N11O10S

M.W.:
1044.29

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4762272

Name:
(3S,6R,9S,12S,15S,18S,21S,24S)-15-((1H-indol-3-yl)methyl)-24-amino-12-(4-amShow More⌵

Mol. Formula:
C52H71N11O11S

M.W.:
1058.27

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4761055

Name:
(2S)-N1-((2R,5S,8S,11S)-11-((1H-indol-3-yl)methyl)-1-amino-8-(4-aminobutyl)Show More⌵

Mol. Formula:
C46H56N10O8S

M.W.:
909.08

Type:
Unknown

AlogP:
0.23

Polar Surface Area:
319.74

HBA:
11

HBD:
12

#RO5 Violations:
3

#Rotatable Bonds:
24

Passes Ro3:
N

QED Weighted:
0.03

DETAILS

ALA4758767

Name:
(4S,7S,10S,13S,16S,19S)-13,16-bis((1H-indol-3-yl)methyl)-19,21-diamino-10-(Show More⌵

Mol. Formula:
C46H57N11O10

M.W.:
924.03

Type:
Unknown

AlogP:
-0.51

Polar Surface Area:
372.83

HBA:
11

HBD:
13

#RO5 Violations:
3

#Rotatable Bonds:
26

Passes Ro3:
N

QED Weighted:
0.03

DETAILS

ALA4757895

Name:
(S)-N1-((2R,5S,8S,11S,14S)-11-((1H-indol-3-yl)methyl)-1-amino-8-(4-aminobutShow More⌵

Mol. Formula:
C46H55N11O10S

M.W.:
954.08