ALA5206615Name:
7-(thiophen-2-yl)-10,11-methylenedioxy-20(S)-camptothecinMol. Formula:
C25H18N2O6SM.W.:
474.49Type:
---AlogP:
3.54Polar Surface Area:
99.88HBA:
9HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.39DETAILS
ALA5202993Name:
7-(1-methyl-1H-pyrazol-4-yl)-10,11-methyleneclioxy-20(S)-camptothecinMol. Formula:
C25H20N4O6M.W.:
472.46Type:
---AlogP:
2.21Polar Surface Area:
117.70HBA:
10HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.39DETAILS
ALA5202359Name:
7-(furan-3-yl)-10,11-methylenedioxy-20(S)-carnptothecinMol. Formula:
C25H18N2O7M.W.:
458.43Type:
---AlogP:
3.07Polar Surface Area:
113.02HBA:
9HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.40DETAILS
ALA5198898Name:
7-(furan-2-yl)-10,11-methylenedioxy-20(S)-camptothecinMol. Formula:
C25H18N2O7M.W.:
458.43Type:
---AlogP:
3.07Polar Surface Area:
113.02HBA:
9HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.40DETAILS
ALA5197149Name:
7-(3,5-bis(trifluoromethyl)phenyl)-10,11-methylenedioxy-20(S)-camptothecinMol. Formula:
C29H18F6N2O6M.W.:
604.46Type:
---AlogP:
5.51Polar Surface Area:
99.88HBA:
8HBD:
1#RO5 Violations:
2#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.21DETAILS- ALA5191443
Name:
7-(4-(hydroxymethyl)phenyl)-10,11-medzylenedioxy-20(S)-camptothecinMol. Formula:
C28H22N2O7M.W.:
498.49Type:
---AlogP:
2.97Polar Surface Area:
120.11HBA:
9HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.36DETAILS - ALA5176513
Name:
7-(thiophen-3-yl)-10,11-methylenedioxy-20(S)-camptothecinMol. Formula:
C25H18N2O6SM.W.:
474.49Type:
---AlogP:
3.54Polar Surface Area:
99.88HBA:
9HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.39DETAILS - ALA5171746
Name:
7-(pyridin-3-yl)-10,11-methylenedioxy-20(S)-camptothecinMol. Formula:
C26H19N3O6M.W.:
469.45Type:
---AlogP:
2.87Polar Surface Area:
112.77HBA:
9HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.39DETAILS - ALA1278216
Name:
N-(2-chloro-5-(trifluoromethyl)phenyl)quinoxaline-6-carboxamideMol. Formula:
C16H9ClF3N3OM.W.:
351.71Type:
Small moleculeAlogP:
4.55Polar Surface Area:
54.88HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.74DETAILS - ALA1275633
Name:
1-p-tolyl-4-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalineMol. Formula:
C17H11F3N4M.W.:
328.30Type:
Small moleculeAlogP:
4.27Polar Surface Area:
43.08HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.52DETAILS -
Type:
Small moleculeAlogP:
5.27Polar Surface Area:
43.08HBA:
4HBD:
---#RO5 Violations:
1#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.45DETAILS - ALA1278129
Name:
4-(4-methylpiperazin-1-yl)-1-phenyl-[1,2,4]triazolo[4,3-a]quinoxalineMol. Formula:
C20H20N6M.W.:
344.42Type:
Small moleculeAlogP:
2.70Polar Surface Area:
49.56HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.56DETAILS - ALA1278036
Name:
1-(2-fluorophenyl)-4-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalineMol. Formula:
C16H8F4N4M.W.:
332.26Type:
Small moleculeAlogP:
4.10Polar Surface Area:
43.08HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.49DETAILS - ALA1278035
Name:
1-(4-chlorophenyl)-4-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalineMol. Formula:
C16H8ClF3N4M.W.:
348.72Type:
Small moleculeAlogP:
4.62Polar Surface Area:
43.08HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.50DETAILS -
Type:
Small moleculeAlogP:
4.24Polar Surface Area:
74.83HBA:
7HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.42DETAILS - ALA1277231
Name:
3-Allyl-11-butyl-3,11-dihydro-1,3,5,10,11-pentaaza-benzo[b]fluoren-4-oneMol. Formula:
C19H19N5OM.W.:
333.40Type:
Small moleculeAlogP:
3.28Polar Surface Area:
65.60HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.53DETAILS -
Type:
Small moleculeAlogP:
3.86Polar Surface Area:
74.83HBA:
7HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.45DETAILS -
Type:
Small moleculeAlogP:
4.03Polar Surface Area:
61.30HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.40DETAILS - ALA1277139
Name:
7,9-dimethyl-6-p-tolyl-7H-5,7,9,11a-tetraaza-benzo[a]fluorene-8,10-dioneMol. Formula:
C22H18N4O2M.W.:
370.41Type:
Small moleculeAlogP:
3.01Polar Surface Area:
61.30HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.46DETAILS -
Type:
Small moleculeAlogP:
2.71Polar Surface Area:
70.53HBA:
7HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.47DETAILS
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