Compounds

ALA4758952

Name:
(3S,4S)-3-Amino-4-chlorocyclopent-1-enecarboxylic
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Mol. Formula:
C6H8ClNO2

M.W.:
161.59

4 activity values

1 unique targets

Type:
Unknown

AlogP:
0.34

Polar Surface Area:
63.32

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4747359

Name:
(3S,4S)-3-Amino-4-fluorocyclopent-1-enecarboxylic
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Mol. Formula:
C6H8FNO2

M.W.:
145.13

18 activity values

4 unique targets

Type:
Unknown

AlogP:
0.07

Polar Surface Area:
63.32

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4746439

Name:
(S)-3-amino-4-(difluoromethylene)cyclopent-1-eneca
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Mol. Formula:
C7H7F2NO2

M.W.:
175.13

1 activity values

1 unique targets

Type:
Unknown

AlogP:
0.88

Polar Surface Area:
63.32

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4741430

Name:
(3S,4S)-3-Amino-4-bromocyclopent-1-enecarboxylic a
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Mol. Formula:
C6H8BrNO2

M.W.:
206.04

4 activity values

1 unique targets

Type:
Unknown

AlogP:
0.49

Polar Surface Area:
63.32

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4648520

Name:
(R)-4-amino-3-fluorobutanoic acid

Cas Number:
1000312-14-0

Mol. Formula:
C4H8FNO2

M.W.:
121.11

1 activity values

1 unique targets

Type:
Unknown

AlogP:
-0.24

Polar Surface Area:
63.32

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA2312286

Name:
(4R,5R)-4-ammonio-5-fluorohexanoate

Mol. Formula:
C6H12FNO2

M.W.:
149.17

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
0.54

Polar Surface Area:
63.32

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA2311915

Name:
(4S,5S)-4-ammonio-5-fluorohexanoate

Mol. Formula:
C6H12FNO2

M.W.:
149.17

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
0.54

Polar Surface Area:
63.32

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA2311914

Name:
(4S,5R)-4-Ammonio-5-fluorohexanoate

Mol. Formula:
C6H12FNO2

M.W.:
149.17

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
0.54

Polar Surface Area:
63.32

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA2147354

Name:
4-(Aminomethyl)thiophene-3-carboxylic acid hydroch
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Mol. Formula:
C6H8ClNO2S

M.W.:
193.66

4 activity values

1 unique targets

Type:
Small molecule

AlogP:
0.91

Polar Surface Area:
63.32

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA2147353

Name:
4-(Aminomethyl)furan-3-carboxylic acid hydrochlori
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Mol. Formula:
C6H8ClNO3

M.W.:
177.59

4 activity values

1 unique targets

Type:
Small molecule

AlogP:
0.44

Polar Surface Area:
76.46

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA2147352

Name:
4-(Aminomethyl)-1H-pyrrole-2-carboxylic acid hydro
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Mol. Formula:
C6H9ClN2O2

M.W.:
176.60

4 activity values

1 unique targets

Type:
Small molecule

AlogP:
0.17

Polar Surface Area:
79.11

HBA:
2

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA2147351

Name:
4-(Aminomethyl)thiophene-2-carboxylic acid hydroch
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Cas Number:
2375258-82-3

Mol. Formula:
C6H8ClNO2S

M.W.:
193.66

4 activity values

1 unique targets

Type:
Small molecule

AlogP:
0.91

Polar Surface Area:
63.32

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA2147350

Name:
4-(Aminomethyl)furan-2-carboxylic acid hydrochlori
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Mol. Formula:
C6H8ClNO3

M.W.:
177.59

4 activity values

1 unique targets

Type:
Small molecule

AlogP:
0.44

Polar Surface Area:
76.46

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA2147349

Name:
5-(Aminomethyl)-1H-pyrrole-2-carboxylic acid hydro
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Mol. Formula:
C6H9ClN2O2

M.W.:
176.60

4 activity values

1 unique targets

Type:
Small molecule

AlogP:
0.17

Polar Surface Area:
79.11

HBA:
2

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA2147348

Name:
5-(Aminomethyl)thiophene-2-carboxylic acid hydroch
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Cas Number:
1401555-72-3

Mol. Formula:
C6H8ClNO2S

M.W.:
193.66

4 activity values

1 unique targets

Type:
Small molecule

AlogP:
0.91

Polar Surface Area:
63.32

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA2147347

Name:
5-(Aminomethyl)furan-2-carboxylic acid hydrochlori
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Cas Number:
51521-95-0

Mol. Formula:
C6H8ClNO3

M.W.:
177.59

4 activity values

1 unique targets

Type:
Small molecule

AlogP:
0.44

Polar Surface Area:
76.46

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA1160230

Name:
3-Carboxy-1-fluoromethyl-allyl-ammonium

Mol. Formula:
C5H8FNO2

M.W.:
133.12

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
-0.08

Polar Surface Area:
63.32

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA1159900

Name:
(2S)-2-amino-2-methyl-3-(phosphonooxy)propanoic ac
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Mol. Formula:
C4H10NO6P

M.W.:
199.10

11 activity values

9 unique targets

Type:
Small molecule

AlogP:
-1.10

Polar Surface Area:
130.08

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA220453

Name:
(1S,3S)-3-amino-4-(2,2,2-trifluoro-1-trifluorometh
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Mol. Formula:
C9H9F6NO2

M.W.:
277.16

15 activity values

8 unique targets

Type:
Small molecule

AlogP:
2.23

Polar Surface Area:
63.32

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA219479

Name:
(1S,3S)-(Z)-3-amino-4-(2,2,2-trifluoroethylidene)c
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Mol. Formula:
C8H10F3NO2

M.W.:
209.17

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.30

Polar Surface Area:
63.32

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.64

DETAILS