Compounds

ALA4082081

Name:
(S)-2-{(S)-2-[(S)-2-{(S)-2-[(S)-2-Amino-3-(1H-indo
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Mol. Formula:
C45H56N14O6

M.W.:
889.03

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.04

Polar Surface Area:
350.89

HBA:
8

HBD:
15

#RO5 Violations:
2

#Rotatable Bonds:
23

Passes Ro3:
N

QED Weighted:
0.02

DETAILS

ALA4081135

Name:
(6S,9S,12S,15S,18S,21S,24S)-1,24,29-triamino-9,12,
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Cas Number:
165893-48-1

Mol. Formula:
C42H86N28O8

M.W.:
1111.34

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3093945

Name:
(3S,4S)-N-(cyanomethyl)-4-(morpholine-4-carbonyl)-
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Mol. Formula:
C19H21F3N4O5S

M.W.:
474.46

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
0.44

Polar Surface Area:
119.81

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA3093944

Name:
(3S,4S)-1-(2-chlorophenylsulfonyl)-N-(cyanomethyl)
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Mol. Formula:
C18H21ClN4O5S

M.W.:
440.91

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
0.08

Polar Surface Area:
119.81

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA3093943

Name:
(3S,4S)-N-(cyanomethyl)-4-(morpholine-4-carbonyl)-
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Mol. Formula:
C18H22N4O5S

M.W.:
406.46

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
-0.58

Polar Surface Area:
119.81

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA3093942

Name:
(1R,2R,4R)-2-(Morpholine-4-carbonyl)-4-(2-trifluor
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Mol. Formula:
C20H22F3N3O5S

M.W.:
473.47

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
1.37

Polar Surface Area:
116.57

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA3093941

Name:
(1R,2R,4R)-4-(2-Chloro-benzenesulfonyl)-2-(morphol
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Mol. Formula:
C19H22ClN3O5S

M.W.:
439.92

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
1.01

Polar Surface Area:
116.57

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA3093939

Name:
(1R,2R,4R)-4-Cyclopropylmethanesulfonyl-2-(morphol
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Mol. Formula:
C17H25N3O5S

M.W.:
383.47

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
-0.30

Polar Surface Area:
116.57

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA3093938

Name:
(1R,2R)-N-(cyanomethyl)-4,4-difluoro-2-(morpholine
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Mol. Formula:
C13H17F2N3O3

M.W.:
301.29

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
0.15

Polar Surface Area:
82.43

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.75

DETAILS