Compounds

ALA5266704

Name:
Benzyl ((S)-1-(((S)-7-(naphthalene-2-sulfonamido)-1-(phenylsulfonyl)hept-1-Show More⌵

Mol. Formula:
C40H41N3O7S2

M.W.:
739.92

Type:
---

AlogP:
6.30

Polar Surface Area:
147.74

HBA:
7

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA5266391

Name:
N,N'-((dodecane-1,12-diylbis(azanediyl))bis(propane-3,1-diyl))bis(2-(6-methShow More⌵

Mol. Formula:
C40H56N6O6

M.W.:
716.92

Type:
---

AlogP:
5.82

Polar Surface Area:
166.44

HBA:
8

HBD:
6

#RO5 Violations:
3

#Rotatable Bonds:
27

Passes Ro3:
N

QED Weighted:
0.03

DETAILS

ALA5282154

Name:
N-[4-[(2S,3S,5S)-3-(benzenesulfonylmethyl)-5-benzyl-6-oxo-piperazin-2-yl]buShow More⌵

Mol. Formula:
C32H35N3O5S2

M.W.:
605.78

Type:
---

AlogP:
3.83

Polar Surface Area:
121.44

HBA:
6

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA5280981

Name:
(S)-2-(3-Butylureido)-N-((S,E)-7-(naphthalene-1-su1fonamido)-1-(phenylsulfoShow More⌵

Mol. Formula:
C37H44N4O6S2

M.W.:
704.91

Type:
---

AlogP:
5.47

Polar Surface Area:
150.54

HBA:
6

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA5279300

Name:
Lobosamide B

Mol. Formula:
C29H41NO5

M.W.:
483.65

Type:
---

AlogP:
3.59

Polar Surface Area:
110.02

HBA:
5

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA5279288

Name:
Actinosporin A

Mol. Formula:
C30H32O13

M.W.:
600.57

Type:
---

AlogP:
0.53

Polar Surface Area:
208.74

HBA:
13

HBD:
7

#RO5 Violations:
3

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA5278871

Name:
(S)-2-(4-Hexyl-1H-1,2,3-triazol-1-yl)-N-((S,E)-7-(naphthalene-1-sulfonamidoShow More⌵

Mol. Formula:
C40H47N5O5S2

M.W.:
741.98

Type:
---

AlogP:
6.96

Polar Surface Area:
140.12

HBA:
8

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
20

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA5278716

Name:
Benzyl ((S)-1-(((S)-7-(hexylsulfonamido)-1-(phenylsulfonyl)hept-1-en-3-yl)aShow More⌵

Mol. Formula:
C36H47N3O7S2

M.W.:
697.92

Type:
---

AlogP:
5.67

Polar Surface Area:
147.74

HBA:
7

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
21

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA5277825

Name:
N-((S)-1-(((S,E)-7-(Naphthalene-1-sulfonamido)-1-(phenylsulfonyl)hept-1-en-Show More⌵

Mol. Formula:
C38H38N4O6S2

M.W.:
710.88

Type:
---

AlogP:
5.20

Polar Surface Area:
151.40

HBA:
7

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA5277048

Name:
(S)-2-(3-(tert-Butyl)ureido)-N-(S,E)-7-(naphthalene-1-sulfonamido)-1-(phenyShow More⌵

Mol. Formula:
C37H44N4O6S2

M.W.:
704.91

Type:
---

AlogP:
5.47

Polar Surface Area:
150.54

HBA:
6

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA5276715

Name:
(2S)-2-amino-N-[(1S)-1-[(E)-2-(benzenesulfonyl)vinyl]-5-(1-naphthylsulfonylShow More⌵

Mol. Formula:
C32H35N3O5S2

M.W.:
605.78

Type:
---

AlogP:
4.33

Polar Surface Area:
135.43

HBA:
6

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA5275864

Name:
(S)-2-Azido-N-((S,E)-7-(naphthalene-1-sulfonamido)-1-(phenylsulfonyl)hept-1Show More⌵

Mol. Formula:
C32H33N5O5S2

M.W.:
631.78

Type:
---

AlogP:
5.68

Polar Surface Area:
158.17

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA5274580

Name:
4-Methyl-N-((S)-1-(S,E)-7-(naphthalene-1-sulfonamido)-1-(phenylsulfonyl)hepShow More⌵

Mol. Formula:
C38H45N5O6S2

M.W.:
731.94

Type:
---

AlogP:
4.33

Polar Surface Area:
144.99

HBA:
7

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA5290097

Name:
(Z)-7-((E)-3,7-dimethylocta-2,6-dien-1-yl)-6-(methoxyimino)-9-methyl-6,7-diShow More⌵

Mol. Formula:
C17H25N5O

M.W.:
315.42

Type:
---

AlogP:
1.97

Polar Surface Area:
57.39

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA5289523

Name:
(S)-N-((S,E)-7-(Naphthalene-1-sulfonamido)-1-(phenylsulfonyl)hept-1-en-3-ylShow More⌵

Mol. Formula:
C40H39F3N4O5S3

M.W.:
808.97

Type:
---

AlogP:
7.38

Polar Surface Area:
133.47

HBA:
6

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA5289068

Name:
N1,N1'-(heptane-1,7-diyl)bis(N3-((S)-2-methylbutyl)propane-1,3-diamine)

Mol. Formula:
C23H52N4

M.W.:
384.70

Type:
---

AlogP:
4.17

Polar Surface Area:
48.12

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
22

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA5288347

Name:
(S)-N-((S,E)-7-(Naphthalene-1-sulfonamido)-1-(phenylsulfonyl)hept-1-en-3-ylShow More⌵

Mol. Formula:
C39H40N4O5S3

M.W.:
740.97

Type:
---

AlogP:
6.36

Polar Surface Area:
133.47

HBA:
6

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA5288334

Name:
(S)-2-(2-(Benzo[d][1,3]dioxol-5-yl)acetamido)-N-((S,E)-7-(naphthalene-1-sulShow More⌵

Mol. Formula:
C41H41N3O8S2

M.W.:
767.93

Type:
---

AlogP:
5.46

Polar Surface Area:
156.97

HBA:
8

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA5285414

Name:
Lobosamide A

Mol. Formula:
C29H41NO5

M.W.:
483.65

Type:
---

AlogP:
3.59

Polar Surface Area:
110.02

HBA:
5

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA5284708

Name:
(S)-N-((S,E)-7-(Naphthalene-1-sulfonamido)-1-(phenylsulfonyl)hept-1-en-3-ylShow More⌵

Mol. Formula:
C39H40N4O6S2

M.W.:
724.91

Type:
---

AlogP:
6.19

Polar Surface Area:
150.54

HBA:
6

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.09

DETAILS