Compounds

Type:
Protein

AlogP:
0.73

Polar Surface Area:
198.59

HBA:
6

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA3349876

Name:
3-[(2S,5R,8S,11R,14R)-14-(1H-Indol-3-ylmethyl)-11-isobutyl-8-isopropyl-5-meShow More⌵

Mol. Formula:
C30H42N6O7

M.W.:
598.70

Type:
Protein

AlogP:
0.73

Polar Surface Area:
198.59

HBA:
6

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA3349875

Name:
3-[(2R,5R,8S,11R,14R)-14-(1H-Indol-3-ylmethyl)-11-isobutyl-8-isopropyl-5-meShow More⌵

Mol. Formula:
C30H42N6O7

M.W.:
598.70

Type:
Protein

AlogP:
0.73

Polar Surface Area:
198.59

HBA:
6

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA3349461

Name:
3-[14-(1H-Indol-3-ylmethyl)-11-isobutyl-8-isopropyl-5-methyl-3,6,9,12,15-peShow More⌵

Mol. Formula:
C30H42N6O7

M.W.:
598.70

Type:
Protein

AlogP:
0.73

Polar Surface Area:
198.59

HBA:
6

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA3301647

Name:
(5R,8S,11R,14S,16aR)-8-(1H-Indol-3-ylmethyl)-11-isobutyl-14-isopropyl-4,7,1Show More⌵

Mol. Formula:
C30H40N6O7

M.W.:
596.69

Type:
Protein

AlogP:
0.44

Polar Surface Area:
189.80

HBA:
6

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA2373292

Name:
c(Cys-Ser-c(Cys-Ser-Ser-Leu-Met-Asp-Lys-Gln-Cys)-Val-Tyr-Phe-Cys)-His-Leu-TShow More⌵

Mol. Formula:
C110H163N25O31S5

M.W.:
2491.99

6 activity values

4 unique targets

Type:
Protein

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA2373291

Name:
c(Cys-Ser-c(Cys-Ser-Ser-Leu-Met-Asp-Lys-Gln-Cys)-Val-Tyr-Phe-Cys)-His-Leu-TShow More⌵

Mol. Formula:
C112H165N25O31S5

M.W.:
2518.03

6 activity values

4 unique targets

Type:
Protein

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA2373089

Name:
(S)-2-{(2S,3S)-2-[2-(2-{(S)-2-[(R)-2-Acetylamino-2-(10,11-dihydro-5H-dibenzShow More⌵

Mol. Formula:
C47H59N7O8

M.W.:
850.03

Type:
Protein

AlogP:
3.40

Polar Surface Area:
227.69

HBA:
7

HBD:
8

#RO5 Violations:
2

#Rotatable Bonds:
19

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA2373088

Name:
(S)-3-{(S)-2-[(R)-2-Acetylamino-2-(10,11-dihydro-5H-dibenzo[a,d]cycloheptenShow More⌵

Mol. Formula:
C51H63N7O10

M.W.:
934.10

Type:
Protein

AlogP:
3.73

Polar Surface Area:
256.20

HBA:
8

HBD:
8

#RO5 Violations:
2

#Rotatable Bonds:
20

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA2373087

Name:
(S)-2-((2S,3S)-2-{2-[2-{(S)-2-[(R)-2-Acetylamino-2-(10,11-dihydro-5H-dibenzShow More⌵

Mol. Formula:
C50H61N9O8

M.W.:
916.09

Type:
Protein

AlogP:
3.34

Polar Surface Area:
256.37

HBA:
8

HBD:
9

#RO5 Violations:
2

#Rotatable Bonds:
21

Passes Ro3:
N

QED Weighted:
0.05

DETAILS

ALA2373086

Name:
2-{1-[1-(2-carboxy-1-{1-[10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-yl(methShow More⌵

Mol. Formula:
C52H67N7O10

M.W.:
950.15

Type:
Protein

AlogP:
4.27

Polar Surface Area:
264.99

HBA:
8

HBD:
9

#RO5 Violations:
2

#Rotatable Bonds:
23

Passes Ro3:
N

QED Weighted:
0.05

DETAILS

ALA2373085

Name:
2-{1-[1-(2-carboxy-1-{1-[2-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-yl)-Show More⌵

Mol. Formula:
C51H63N7O10

M.W.:
934.10

Type:
Protein

AlogP:
3.73

Polar Surface Area:
256.20

HBA:
8

HBD:
8

#RO5 Violations:
2

#Rotatable Bonds:
20

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA2370830

Name:
[(6S,9S,12R,15S)-9-(1H-Indol-3-ylmethyl)-12-isobutyl-15-isopropyl-5,8,11,14Show More⌵

Mol. Formula:
C32H44N6O7

M.W.:
624.74

Type:
Protein

AlogP:
1.22

Polar Surface Area:
189.80

HBA:
6

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA2370825

Name:
[(5S,8S,11R,14S,16aR)-2-Hydroxy-8-(1H-indol-3-ylmethyl)-11-isobutyl-14-isopShow More⌵

Mol. Formula:
C31H42N6O8

M.W.:
626.71

Type:
Protein

AlogP:
-0.20

Polar Surface Area:
210.03

HBA:
7

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA2304018

Name:
[8-(2-Chloro-1H-indol-3-ylmethyl)-11-isobutyl-14-isopropyl-4,7,10,13,16-penShow More⌵

Mol. Formula:
C30H39ClN6O7

M.W.:
631.13

Type:
Protein

AlogP:
1.09

Polar Surface Area:
189.80

HBA:
6

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA2304017

Name:
[8-(2-Cyano-1H-indol-3-ylmethyl)-11-isobutyl-14-(1-methyl-1-methylsulfanyl-Show More⌵

Mol. Formula:
C32H41N7O7S

M.W.:
667.79

4 activity values

4 unique targets

Type:
Protein

AlogP:
0.80

Polar Surface Area:
213.59

HBA:
8

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA2304016

Name:
[14-tert-Butyl-8-(2-chloro-1H-indol-3-ylmethyl)-11-isobutyl-4,7,10,13,16-peShow More⌵

Mol. Formula:
C31H41ClN6O7

M.W.:
645.16

Type:
Protein

AlogP:
1.48

Polar Surface Area:
189.80

HBA:
6

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA2304015

Name:
[14-Cyclopentyl-11-cyclopropyl-8-(2-methyl-1H-indol-3-ylmethyl)-4,7,10,13,1Show More⌵

Mol. Formula:
C33H42N6O7

M.W.:
634.73

Type:
Protein

AlogP:
1.04

Polar Surface Area:
189.80

HBA:
6

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA2304014

Name:
[8-(2-Cyano-1H-indol-3-ylmethyl)-11-isobutyl-14-isopropyl-4,7,10,13,16-pentShow More⌵

Mol. Formula:
C31H39N7O7

M.W.:
621.70

Type:
Protein

AlogP:
0.31

Polar Surface Area:
213.59

HBA:
7

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA2304013

Name:
[8-(2-Bromo-1H-indol-3-ylmethyl)-14-tert-butyl-11-isobutyl-4,7,10,13,16-penShow More⌵

Mol. Formula:
C31H41BrN6O7

M.W.:
689.61