Type:
UnknownAlogP:
6.67Polar Surface Area:
254.84HBA:
16HBD:
4#RO5 Violations:
3#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.15DETAILS
ALA4463514Name:
7-amino-4-(6-bromo-7-hydroxybenzo[d]thiazol-2-yl)-2H-chromen-2-oneMol. Formula:
C16H9BrN2O3SM.W.:
389.23Type:
UnknownAlogP:
4.12Polar Surface Area:
89.35HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.38DETAILS
ALA4291868Name:
Ethyl[6-(propylsulfanyl)-1,3-benzothiazol-2-yl]carbamateMol. Formula:
C13H16N2O2S2M.W.:
296.42Type:
Small moleculeAlogP:
4.37Polar Surface Area:
51.22HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.83DETAILS
Type:
Small moleculeAlogP:
1.72Polar Surface Area:
118.42HBA:
7HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.44DETAILS
ALA3621368Name:
1-Ethoxycarbonyl-4-benzyl-1,2,4-triazolo[4,3-a]quinoxalineMol. Formula:
C19H16N4O2M.W.:
332.36Type:
Small moleculeAlogP:
3.05Polar Surface Area:
69.38HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.54DETAILS- ALA3621367
Name:
2-(4-Benzyl-1,2,4-triazolo[4,3-a]quinoxalin-1-yl)benzoic acidMol. Formula:
C23H16N4O2M.W.:
380.41Type:
Small moleculeAlogP:
4.23Polar Surface Area:
80.38HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.50DETAILS - ALA3359968
Name:
1-Cyano-3-(4-methoxybenzoyl)-6,8-dimethylindolizineMol. Formula:
C19H16N2O2M.W.:
304.35Type:
Small moleculeAlogP:
3.67Polar Surface Area:
54.50HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.69DETAILS - ALA3310036
Name:
(E)-7-chloro-3-(4-chlorobenzylideneamino)-2-phenylquinazolin-4(3H)-oneMol. Formula:
C21H13Cl2N3OM.W.:
394.26Type:
Small moleculeAlogP:
5.25Polar Surface Area:
47.25HBA:
4HBD:
---#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.45DETAILS -
Type:
Small moleculeAlogP:
6.81Polar Surface Area:
85.48HBA:
8HBD:
2#RO5 Violations:
2#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.22DETAILS - ALA2415046
Name:
6-(2-Furyl)-4-morpholinyl-2-thioxo-1,2-dihydropyrimidine-5-carbonitrileMol. Formula:
C13H12N4O2SM.W.:
288.33Type:
Small moleculeAlogP:
2.11Polar Surface Area:
78.08HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.85DETAILS - ALA2415044
Name:
4-Morpholinyl-6-phenyl-2-thioxo-1,2-dihydropyrimidine-5-carbonitrileMol. Formula:
C15H14N4OSM.W.:
298.37Type:
Small moleculeAlogP:
2.51Polar Surface Area:
64.94HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.86DETAILS -
Type:
Small moleculeAlogP:
1.64Polar Surface Area:
94.74HBA:
9HBD:
1#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.51DETAILS - ALA2415030
Name:
2-[(Oxiran-2-yl)methylthio]-6-phenyl-4-morpholinopyrimidine-5-carbonitrileMol. Formula:
C18H18N4O2SM.W.:
354.44Type:
Small moleculeAlogP:
2.34Polar Surface Area:
74.57HBA:
7HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.46DETAILS -
Type:
Small moleculeAlogP:
3.71Polar Surface Area:
58.64HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.75DETAILS -
Type:
Small moleculeAlogP:
3.28Polar Surface Area:
64.94HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.55DETAILS -
Type:
Small moleculeAlogP:
3.94Polar Surface Area:
95.66HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.50DETAILS -
Type:
Small moleculeAlogP:
4.54Polar Surface Area:
141.20HBA:
8HBD:
4#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.12DETAILS -
Type:
Small moleculeAlogP:
5.04Polar Surface Area:
155.75HBA:
11HBD:
4#RO5 Violations:
3#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.08DETAILS -
Type:
Small moleculeAlogP:
4.02Polar Surface Area:
78.36HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.43DETAILS -
Type:
Small moleculeAlogP:
3.82Polar Surface Area:
86.88HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.44DETAILS
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