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ALA5272684 Name:
methyl 5-methyl-11-((3-(4-oxo-4-(((3R,5aS,6R,8aS,9R,10R,12R,12aR)-3,6,9-triShow More⌵
Mol. Formula:
C40H48N4O9
M.W.:
728.84
Type:
---
AlogP:
6.07
Polar Surface Area:
148.47
HBA:
12
HBD:
2
#RO5 Violations:
3
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.11
DETAILS
CLOSE
ALA5272633 Name:
2-(2-cyano-4-methyl-5-((2-(6-(2,2,2-trifluoroethyl)-7H-pyrrolo[2,3-d]pyrimiShow More⌵
Mol. Formula:
C28H29F3N8O
M.W.:
550.59
Type:
---
AlogP:
3.79
Polar Surface Area:
119.86
HBA:
7
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA5272148 Name:
N-(3-((2-cyano-4-methyl-5-((4-((2-(methylamino)-6-(2,2,2-trifluoroethyl)thiShow More⌵
Mol. Formula:
C32H35F3N8OS
M.W.:
636.75
Type:
---
AlogP:
5.72
Polar Surface Area:
110.90
HBA:
9
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA5271669 Name:
N-(4-(2-(2-(4-(bis(2-chloroethyl)amino)benzylidene)hydrazineyl)thiazol-4-ylShow More⌵
Mol. Formula:
C27H27Cl2N5O3S2
M.W.:
604.59
Type:
---
AlogP:
6.35
Polar Surface Area:
95.92
HBA:
8
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.10
DETAILS
CLOSE
ALA5271544 Name:
N-(5-(1-(2,6-dichlorobenzyl)-1H-benzo[d]imidazol-6-yl)-1H-pyrazol-3-yl)-2-(Show More⌵
Mol. Formula:
C28H27Cl2N9O
M.W.:
576.49
Type:
---
AlogP:
4.97
Polar Surface Area:
107.86
HBA:
8
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA5271337 Name:
N-(5-(1-(2,6-Dichlorobenzyl)-1H-benzo[d]imidazol-6-yl)-1H-pyrazol-3-yl)-6-(Show More⌵
Mol. Formula:
C29H28Cl2N8O
M.W.:
575.50
Type:
---
AlogP:
5.57
Polar Surface Area:
94.97
HBA:
7
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
ALA5271263 Name:
4-{[(2-chlorophenyl)methyl]amino}-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2-dihyShow More⌵
Mol. Formula:
C21H18ClN3O2
M.W.:
379.85
Type:
---
AlogP:
5.07
Polar Surface Area:
70.92
HBA:
4
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA5270868 Name:
3-(2,6-Dichlorophenyl)-7-((4-((3S,5R)-3,5-dimethylpiperazin-1-yl)-3-(hydroxShow More⌵
Mol. Formula:
C26H26Cl2N6O2
M.W.:
525.44
Type:
---
AlogP:
4.51
Polar Surface Area:
95.31
HBA:
8
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA5270205 Name:
6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-{[(2-methoxyphenyl)methyl]amino}-1,2-dihShow More⌵
Mol. Formula:
C22H21N3O3
M.W.:
375.43
Type:
---
AlogP:
4.42
Polar Surface Area:
80.15
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA5270005 Name:
4-[(cyclohexylmethyl)amino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2-dihydroquiShow More⌵
Mol. Formula:
C21H25N3O2
M.W.:
351.45
Type:
---
AlogP:
4.79
Polar Surface Area:
70.92
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.71
DETAILS
CLOSE
ALA5269795 Name:
6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(2-phenylethyl)amino]-1,2-dihydroquinolShow More⌵
Mol. Formula:
C22H21N3O2
M.W.:
359.43
Type:
---
AlogP:
4.45
Polar Surface Area:
70.92
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
ALA5269748 Name:
3-(2,6-Dichlorophenyl)-7-((4-(4-methylpiperazin-1-yl)phenyl)amino)pyrido[4,Show More⌵
Mol. Formula:
C24H22Cl2N6O
M.W.:
481.39
Type:
---
AlogP:
4.58
Polar Surface Area:
66.29
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA5269715 Name:
N-(4-(2-(2-(4-(bis(2-chloroethyl)amino)benzylidene)hydrazineyl)thiazol-4-ylShow More⌵
Mol. Formula:
C27H24Cl2F3N5O2S2
M.W.:
642.56
Type:
---
AlogP:
7.36
Polar Surface Area:
86.69
HBA:
7
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.10
DETAILS
CLOSE
ALA5269331 Name:
3-(2,6-Dichlorophenyl)-7-((4-((1-methylpiperidin-4-yl)amino)phenyl)amino)pyShow More⌵
Mol. Formula:
C25H24Cl2N6O
M.W.:
495.41
Type:
---
AlogP:
5.34
Polar Surface Area:
75.08
HBA:
7
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA5269291 Name:
N7-(4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl)-N5-((1r,4r)-4-aminocyclohexShow More⌵
Mol. Formula:
C28H37N7O
M.W.:
487.65
Type:
---
AlogP:
4.65
Polar Surface Area:
92.74
HBA:
8
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA5269280 Name:
3-((3-amino-6-chloroisoquinolin-4-yl)ethynyl)-4-methyl-N-(4-((4-methylpiperShow More⌵
Mol. Formula:
C32H29ClF3N5O
M.W.:
592.06
Type:
---
AlogP:
6.20
Polar Surface Area:
74.49
HBA:
5
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA5269147 Name:
(3R,5aS,6R,8aS,9R,10R,12R,12aR)-3,6,9-trimethyldecahydro-3H-3,12-epoxy[1,2]Show More⌵
Mol. Formula:
C40H49ClN4O7
M.W.:
733.31
Type:
---
AlogP:
7.57
Polar Surface Area:
122.17
HBA:
10
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.13
DETAILS
CLOSE
ALA5268457 Name:
4-{[(3-bromophenyl)methyl]amino}-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2-dihydShow More⌵
Mol. Formula:
C21H18BrN3O2
M.W.:
424.30
Type:
---
AlogP:
5.17
Polar Surface Area:
70.92
HBA:
4
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA5268364 Name:
N-(5-((3-(2,6-Dichlorophenyl)-4-oxo-3,4-dihydropyrido[4,3-d]pyrimidin-7-yl)Show More⌵
Mol. Formula:
C27H27Cl2N7O2
M.W.:
552.47
Type:
---
AlogP:
4.98
Polar Surface Area:
104.18
HBA:
8
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA5268237 Name:
(5S,6R,8R)-6-amino-N,5-dimethyl-13-oxo-5,6,7,8,14,15-hexahydro-13H-16-oxa-4Show More⌵
Mol. Formula:
C27H23N5O3
M.W.:
465.51
Type:
---
AlogP:
3.19
Polar Surface Area:
103.31
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
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