Compounds

ALA2111978

Name:
(Z)-N-{4-[(E)-2-(4-Chloro-phenyl)-vinyl]-phenyl}-2
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Mol. Formula:
C21H17ClN2O2

M.W.:
364.83

Type:
Small molecule

AlogP:
5.19

Polar Surface Area:
73.12

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA543919

Name:
(Z)-N-(4-Amino-phenyl)-2-cyano-3-cyclopropyl-3-hyd
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Mol. Formula:
C13H14ClN3O2

M.W.:
279.73

Type:
Small molecule

AlogP:
1.95

Polar Surface Area:
99.14

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA342525

Name:
4-((Z)-2-Cyano-3-cyclopropyl-3-hydroxy-acryloylami
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Mol. Formula:
C14H13N3O3

M.W.:
271.28

Type:
Small molecule

AlogP:
1.47

Polar Surface Area:
116.21

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA344996

Name:
(Z)-2-Cyano-3-hydroxy-pent-2-en-4-ynoic acid (4-tr
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Mol. Formula:
C13H7F3N2O2

M.W.:
280.20

Type:
Small molecule

AlogP:
2.61

Polar Surface Area:
73.12

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA142997

Name:
(Z)-2-Cyano-3-cyclopropyl-N-(4'-fluoro-biphenyl-4-
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Mol. Formula:
C19H15FN2O2

M.W.:
322.34

Type:
Small molecule

AlogP:
4.18

Polar Surface Area:
73.12

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA142996

Name:
(Z)-N-Biphenyl-4-yl-2-cyano-3-cyclopropyl-3-hydrox
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Mol. Formula:
C19H16N2O2

M.W.:
304.35

Type:
Small molecule

AlogP:
4.04

Polar Surface Area:
73.12

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA337546

Name:
(Z)-N-(2-Chloro-phenyl)-2-cyano-3-cyclopropyl-3-hy
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Mol. Formula:
C13H11ClN2O2

M.W.:
262.70

Type:
Small molecule

AlogP:
3.02

Polar Surface Area:
73.12

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA337130

Name:
(Z)-2-Cyano-3-cyclobutyl-3-hydroxy-N-(4-trifluorom
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Mol. Formula:
C15H13F3N2O2

M.W.:
310.28

Type:
Small molecule

AlogP:
3.78

Polar Surface Area:
73.12

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA143291

Name:
(Z)-2-Cyano-3-hydroxy-3-(tetrahydro-furan-3-yl)-N-
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Mol. Formula:
C15H13F3N2O3

M.W.:
326.27

Type:
Small molecule

AlogP:
3.02

Polar Surface Area:
82.35

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA141126

Name:
(Z)-2-Cyano-3-cyclopropyl-3-hydroxy-N-(4-phenoxy-p
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Mol. Formula:
C19H16N2O3

M.W.:
320.35

Type:
Small molecule

AlogP:
4.16

Polar Surface Area:
82.35

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA341877

Name:
(Z)-2-Cyano-3-cyclopropyl-3-hydroxy-N-[4-(4-triflu
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Mol. Formula:
C20H15F3N2O3

M.W.:
388.35

Type:
Small molecule

AlogP:
5.18

Polar Surface Area:
82.35

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA357498

Name:
(Z)-2-Cyano-3-cyclopropyl-3-hydroxy-N-(4-methanesu
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Mol. Formula:
C14H14N2O3S

M.W.:
290.34

Type:
Small molecule

AlogP:
2.11

Polar Surface Area:
96.18

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA143438

Name:
(Z)-2-Cyano-3-cyclopentyl-3-hydroxy-N-(4-trifluoro
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Mol. Formula:
C16H15F3N2O2

M.W.:
324.30

Type:
Small molecule

AlogP:
4.17

Polar Surface Area:
73.12

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA143437

Name:
(Z)-2-Cyano-3-hydroxy-3-(tetrahydro-furan-2-yl)-N-
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Mol. Formula:
C15H13F3N2O3

M.W.:
326.27

Type:
Small molecule

AlogP:
3.16

Polar Surface Area:
82.35

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA143460

Name:
(Z)-2-Cyano-3-cyclopropyl-3-hydroxy-N-(4-methanesu
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Mol. Formula:
C14H14N2O4S

M.W.:
306.34

Type:
Small molecule

AlogP:
1.77

Polar Surface Area:
107.26

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA334922

Name:
(Z)-2-Cyano-3-cyclopropyl-3-hydroxy-N-(4-methoxy-p
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Mol. Formula:
C14H14N2O3

M.W.:
258.28

Type:
Small molecule

AlogP:
2.38

Polar Surface Area:
82.35

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA143496

Name:
(Z)-2-Cyano-3-hydroxy-3-pyrrolidin-2-yl-N-(4-trifl
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Mol. Formula:
C15H14F3N3O2

M.W.:
325.29

Type:
Small molecule

AlogP:
2.73

Polar Surface Area:
85.15

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA143756

Name:
(Z)-2-Cyano-3-hydroxy-3-(1-methyl-pyrrolidin-2-yl)
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Mol. Formula:
C16H16F3N3O2

M.W.:
339.32

Type:
Small molecule

AlogP:
3.07

Polar Surface Area:
76.36

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA442489

Name:
(Z)-2-Cyano-3-cyclopropyl-3-hydroxy-N-(4-hydroxy-p
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Mol. Formula:
C13H12N2O3

M.W.:
244.25

Type:
Small molecule

AlogP:
2.08

Polar Surface Area:
93.35

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA140115

Name:
(Z)-2-Cyano-3-cyclopropyl-3-hydroxy-N-(3-trifluoro
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Mol. Formula:
C14H11F3N2O2

M.W.:
296.25

Type:
Small molecule

AlogP:
3.39

Polar Surface Area:
73.12

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.51

DETAILS