Compounds

Type:
Small molecule

AlogP:
4.86

Polar Surface Area:
144.23

HBA:
8

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA3629176

Name:
5-(4-N'-Hydroxycarbamimidoyl)-phenoxy)-N-(2-(phenylamino)benzo[d]oxazol-5-yShow More⌵

Mol. Formula:
C25H25N5O4

M.W.:
459.51

Type:
Small molecule

AlogP:
4.85

Polar Surface Area:
135.00

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA3629175

Name:
5-(4-N'-Hydroxycarbamimidoyl)-phenoxy)-N-(2-(4-ethylphenylamino)benzo[d]oxaShow More⌵

Mol. Formula:
C27H29N5O4

M.W.:
487.56

17 activity values

5 unique targets

Type:
Small molecule

AlogP:
5.42

Polar Surface Area:
135.00

HBA:
7

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA1269907

Name:
N-(4-Isopropylphenyl)-5-methoxybenzo[d]oxazol-2-amine

Mol. Formula:
C17H18N2O2

M.W.:
282.34

Type:
Small molecule

AlogP:
4.70

Polar Surface Area:
47.29

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA1269906

Name:
N-(4-Ethylphenyl)-5-nitrobenzo[d]oxazol-2-amine

Mol. Formula:
C15H13N3O3

M.W.:
283.29

Type:
Small molecule

AlogP:
4.04

Polar Surface Area:
81.20

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA1269727

Name:
N-(3-Bromophenyl)-5-methoxybenzo[d]oxazol-2-amine

Mol. Formula:
C14H11BrN2O2

M.W.:
319.16

Type:
Small molecule

AlogP:
4.34

Polar Surface Area:
47.29

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA1269706

Name:
5-Methoxy-N-(4-(methylthio)phenyl)benzo[d]oxazol-2-amine

Mol. Formula:
C15H14N2O2S

M.W.:
286.36

Type:
Small molecule

AlogP:
4.30

Polar Surface Area:
47.29

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA1269705

Name:
5-Methoxy-N-phenylbenzo[d]oxazol-2-amine

Mol. Formula:
C14H12N2O2

M.W.:
240.26

Type:
Small molecule

AlogP:
3.58

Polar Surface Area:
47.29

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA1269704

Name:
N-(3-Methoxyphenyl)-5-methylbenzo[d]oxazol-2-amine

Mol. Formula:
C15H14N2O2

M.W.:
254.29

Type:
Small molecule

AlogP:
3.89

Polar Surface Area:
47.29

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA1269650

Name:
6-Methyl-N-(4-(methylthio)phenyl)benzo[d]oxazol-2-amine

Mol. Formula:
C15H14N2OS

M.W.:
270.36

Type:
Small molecule

AlogP:
4.60

Polar Surface Area:
38.06

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA1269649

Name:
N-(2-Ethylphenyl)-5-methylbenzo[d]oxazol-2-amine

Mol. Formula:
C16H16N2O

M.W.:
252.32

Type:
Small molecule

AlogP:
4.44

Polar Surface Area:
38.06

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA1269648

Name:
N-(4-Ethylphenyl)-5-methylbenzo[d]oxazol-2-amine

Mol. Formula:
C16H16N2O

M.W.:
252.32

8 activity values

Type:
Small molecule

AlogP:
4.44

Polar Surface Area:
38.06

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA1269622

Name:
5-Methyl-N-phenylbenzo[d]oxazol-2-amine

Mol. Formula:
C14H12N2O

M.W.:
224.26

Type:
Small molecule

AlogP:
3.88

Polar Surface Area:
38.06

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA1269621

Name:
5-Chloro-N-(4-ethylphenyl)benzo[d]oxazol-2-amine

Mol. Formula:
C15H13ClN2O

M.W.:
272.74

8 activity values

Type:
Small molecule

AlogP:
4.79

Polar Surface Area:
38.06

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA1269620

Name:
5-Chloro-N-phenylbenzo[d]oxazol-2-amine

Mol. Formula:
C13H9ClN2O

M.W.:
244.68

Type:
Small molecule

AlogP:
4.22

Polar Surface Area:
38.06

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA1269619

Name:
N-(4-Ethylphenyl)benzo[d]oxazol-2-amine

Mol. Formula:
C15H14N2O

M.W.:
238.29

Type:
Small molecule

AlogP:
4.13

Polar Surface Area:
38.06

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA1269508

Name:
N-Phenylbenzo[d]oxazol-2-amine

Mol. Formula:
C13H10N2O

M.W.:
210.24

34 activity values

24 unique targets

Type:
Small molecule

AlogP:
3.57

Polar Surface Area:
38.06

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA69450

Name:
1-(4-Methyl-thiazol-2-yl)-1-[3-(naphthalen-2-ylmethoxy)-phenyl]-propan-1-ol

Mol. Formula:
C24H23NO2S

M.W.:
389.52

Type:
Small molecule

AlogP:
5.83

Polar Surface Area:
42.35

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA306787

Name:
1-[3-(3,4-Difluoro-benzyloxy)-phenyl]-1-thiazol-2-yl-propan-1-ol

Mol. Formula:
C19H17F2NO2S

M.W.:
361.41

Type:
Small molecule

AlogP:
4.65

Polar Surface Area:
42.35

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA71775

Name:
1-[3-(3-Phenyl-prop-2-ynyloxy)-phenyl]-1-thiazol-2-yl-propan-1-ol

Mol. Formula:
C21H19NO2S

M.W.:
349.46