Compounds

ALA5271873

Name:
(S)-2-(4-methylphenylsulfonamido)-N-((S,E)-7-(naphthalene-1-sulfonamido)-1-Show More⌵

Mol. Formula:
C39H41N3O7S3

M.W.:
759.97

Type:
---

AlogP:
5.66

Polar Surface Area:
155.58

HBA:
7

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA5270132

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

Mol. Formula:
C40H39N5O5S2

M.W.:
733.92

Type:
---

AlogP:
6.50

Polar Surface Area:
140.12

HBA:
8

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA5269863

Name:
(2E)-2-[(2-chloro-3-pyridyl)methylene]indan-1-one

Mol. Formula:
C15H10ClNO

M.W.:
255.70

Type:
---

AlogP:
3.56

Polar Surface Area:
29.96

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA5269645

Name:
Agelasine D Bromide

Mol. Formula:
C26H40BrN5

M.W.:
502.55

Type:
---

AlogP:
5.36

Polar Surface Area:
60.61

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5269329

Name:
2,3-dihydroxy-5-(3,5,7-trihydroxy-4-oxo-4H-chromen-2-yl)phenyl hydrogen sulShow More⌵

Mol. Formula:
C15H10O11S

M.W.:
398.30

Type:
---

AlogP:
1.17

Polar Surface Area:
194.96

HBA:
10

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA5269196

Name:
Zamamidine C

Mol. Formula:
C49H58N6O

M.W.:
747.04

Type:
---

AlogP:
9.02

Polar Surface Area:
74.42

HBA:
5

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA5269060

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

Mol. Formula:
C37H42N4O7S2

M.W.:
718.90

Type:
---

AlogP:
4.41

Polar Surface Area:
150.98

HBA:
7

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA5268769

Name:
Laevigatol B

Mol. Formula:
C20H30O3

M.W.:
318.46

Type:
---

AlogP:
4.08

Polar Surface Area:
41.99

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA5268439

Name:
Benzyl ((S)-1-(((S)-7-(1H-benzo[d][1,2,3]triazole-1-sulfonamido)-1-(phenylsShow More⌵

Mol. Formula:
C36H37N5O5S

M.W.:
651.79

Type:
---

AlogP:
5.61

Polar Surface Area:
132.28

HBA:
8

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.14

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