Compounds

ALA3288597

Name:
N-(5-(5-nitro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-4-oxo-2-thioxo-1,3-thiaShow More⌵

Mol. Formula:
C17H9N5O5S2

M.W.:
427.42

15 activity values

7 unique targets

Type:
Small molecule

AlogP:
1.86

Polar Surface Area:
134.54

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA200948

Name:
2-(hydroxy-{1-[(E)-3-(3-hydroxy-phenyl)-acryloylamino]-ethyl}-phosphinoylmeShow More⌵

Mol. Formula:
C17H22NO8P

M.W.:
399.34

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.70

Polar Surface Area:
161.23

HBA:
5

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA200261

Name:
2-[(1-benzyloxycarbonylamino-ethyl)-hydroxy-phosphinoylmethyl]-pentanedioicShow More⌵

Mol. Formula:
C16H22NO8P

M.W.:
387.33

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.09

Polar Surface Area:
150.23

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA439519

Name:
2-(hydroxy-{1-[(E)-(3-phenyl-acryloyl)amino]-ethyl}-phosphinoylmethyl)-pentShow More⌵

Mol. Formula:
C17H22NO7P

M.W.:
383.34

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.00

Polar Surface Area:
141.00

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA200944

Name:
2-{hydroxy-[1-(2-nitro-phenylmethanesulfonylamino)-ethyl]-phosphinoylmethylShow More⌵

Mol. Formula:
C15H21N2O10PS

M.W.:
452.38

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.20

Polar Surface Area:
201.21

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA382061

Name:
2-{[1-(2-chloro-4-fluoro-phenylmethanesulfonylamino)-ethyl]-hydroxy-phosphiShow More⌵

Mol. Formula:
C15H20ClFNO8PS

M.W.:
459.82

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.08

Polar Surface Area:
158.07

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA200911

Name:
2-{hydroxy-[1-(4-trifluoromethyl-phenylmethanesulfonylamino)-ethyl]-phosphiShow More⌵

Mol. Formula:
C16H21F3NO8PS

M.W.:
475.38

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.31

Polar Surface Area:
158.07

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA200757

Name:
2-{hydroxy-[1-(3-trifluoromethyl-phenylmethanesulfonylamino)-ethyl]-phosphiShow More⌵

Mol. Formula:
C16H21F3NO8PS

M.W.:
475.38

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.31

Polar Surface Area:
158.07

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA371868

Name:
2-{hydroxy-[1-(4-nitro-phenylmethanesulfonylamino)-ethyl]-phosphinoylmethylShow More⌵

Mol. Formula:
C15H21N2O10PS

M.W.:
452.38

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.20

Polar Surface Area:
201.21

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA202237

Name:
2-{hydroxy-[1-(3-nitro-phenylmethanesulfonylamino)-ethyl]-phosphinoylmethylShow More⌵

Mol. Formula:
C15H21N2O10PS

M.W.:
452.38

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.20

Polar Surface Area:
201.21

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA372330

Name:
3-(hydroxy-{1-[(S)-2-(4-nitro-phenylmethanesulfonylamino)-propionylamino]-eShow More⌵

Mol. Formula:
C15H22N3O9PS

M.W.:
451.39

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
0.61

Polar Surface Area:
193.01

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA202138

Name:
3-{[1-((E)-3-benzo[1,3]dioxol-5-yl-acryloylamino)-ethyl]-hydroxy-phosphinoyShow More⌵

Mol. Formula:
C15H18NO7P

M.W.:
355.28

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.64

Polar Surface Area:
122.16

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA371733

Name:
2-[(1-benzyloxycarbonylamino-3-methyl-butyl)-hydroxy-phosphinoylmethyl]-penShow More⌵

Mol. Formula:
C19H28NO8P

M.W.:
429.41

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.12

Polar Surface Area:
150.23

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA382536

Name:
2-[(1-benzyloxycarbonylamino-2-methyl-propyl)-hydroxy-phosphinoylmethyl]-peShow More⌵

Mol. Formula:
C18H26NO8P

M.W.:
415.38

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.73

Polar Surface Area:
150.23

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA200753

Name:
2-[(1-benzyloxycarbonylamino-2-methyl-butyl)-hydroxy-phosphinoylmethyl]-penShow More⌵

Mol. Formula:
C19H28NO8P

M.W.:
429.41

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.12

Polar Surface Area:
150.23

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA200841

Name:
3-[(1-benzyloxycarbonylamino-ethyl)-hydroxy-phosphinoyl]-propionic acid

Mol. Formula:
C13H18NO6P

M.W.:
315.26

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.00

Polar Surface Area:
112.93

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA199676

Name:
2-{[1-(2-benzo[1,3]dioxol-5-yl-acetylamino)-ethyl]-hydroxy-phosphinoylmethyShow More⌵

Mol. Formula:
C17H22NO9P

M.W.:
415.34

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.26

Polar Surface Area:
159.46

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA370986

Name:
2-({1-[(R)-2-(2-benzo[1,3]dioxol-5-yl-acetylamino)-propionylamino]-ethyl}-hShow More⌵

Mol. Formula:
C20H27N2O10P

M.W.:
486.41

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
0.76

Polar Surface Area:
188.56

HBA:
7

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA381855

Name:
2-[hydroxy-(1-phenylmethanesulfonylamino-ethyl)-phosphinoylmethyl]-pentanedShow More⌵

Mol. Formula:
C15H22NO8PS

M.W.:
407.38

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.29

Polar Surface Area:
158.07

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA200304

Name:
2-{hydroxy-[1-(naphthalene-2-sulfonylamino)-ethyl]-phosphinoylmethyl}-pentaShow More⌵

Mol. Formula:
C18H22NO8PS

M.W.:
443.41

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.30

Polar Surface Area:
158.07

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.41

DETAILS