ALA2332689Name:
3-(4-hydroxyphenyl)pyrrolo[3,2-f]indole-4,8(1H,7H)-dioneMol. Formula:
C16H10N2O3M.W.:
278.27Type:
Small moleculeAlogP:
2.49Polar Surface Area:
85.95HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.50DETAILS
ALA2332688Name:
3-(4-methoxyphenyl)pyrrolo[3,2-f]indole-4,8(1H,7H)-dioneMol. Formula:
C17H12N2O3M.W.:
292.29Type:
Small moleculeAlogP:
2.79Polar Surface Area:
74.95HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.60DETAILS
Type:
Small moleculeAlogP:
3.83Polar Surface Area:
31.58HBA:
1HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.67DETAILS
Type:
Small moleculeAlogP:
1.47Polar Surface Area:
70.25HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.69DETAILS
Type:
Small moleculeAlogP:
1.27Polar Surface Area:
70.25HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.65DETAILS-
Type:
Small moleculeAlogP:
1.35Polar Surface Area:
70.25HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.60DETAILS - 3-(1H-indol-3-yl)propanenitrile
Name:
3-(1H-Indol-3-yl)propanenitrileMol. Formula:
C11H10N2M.W.:
170.21Type:
Small moleculeAlogP:
2.62Polar Surface Area:
39.58HBA:
1HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.74DETAILS -
Type:
Small moleculeAlogP:
2.23Polar Surface Area:
39.58HBA:
1HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.68DETAILS -
Type:
Small moleculeAlogP:
3.74Polar Surface Area:
28.68HBA:
1HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.73DETAILS -
Type:
Small moleculeAlogP:
2.96Polar Surface Area:
28.68HBA:
1HBD:
1#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
YQED Weighted:
0.58DETAILS -
Type:
Small moleculeAlogP:
3.35Polar Surface Area:
28.68HBA:
1HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.72DETAILS - ALA1812552
Name:
2-((6-Fluoro-1H-indol-3-yl)methylene)malonic acidMol. Formula:
C12H8FNO4M.W.:
249.20Type:
Small moleculeAlogP:
1.86Polar Surface Area:
90.39HBA:
2HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.44DETAILS - ALA1812551
Name:
(E)-2-Cyano-3-(6-fluoro-1H-indol-3-yl)acrylic acidMol. Formula:
C12H7FN2O2M.W.:
230.20Type:
Small moleculeAlogP:
2.30Polar Surface Area:
76.88HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.61DETAILS - ALA1812550
Name:
(E)-Ethyl 2-cyano-3-(6-fluoro-1H-indol-3-yl)acrylateMol. Formula:
C14H11FN2O2M.W.:
258.25Type:
Small moleculeAlogP:
2.78Polar Surface Area:
65.88HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.52DETAILS - ALA1812549
Name:
(Z)-3-(6-Fluoro-1H-indol-3-yl)-2-phenylacrylonitrileMol. Formula:
C17H11FN2M.W.:
262.29Type:
Small moleculeAlogP:
4.37Polar Surface Area:
39.58HBA:
1HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.68DETAILS -
Type:
Small moleculeAlogP:
2.31Polar Surface Area:
36.02HBA:
1HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.75DETAILS -
Type:
Small moleculeAlogP:
2.40Polar Surface Area:
53.09HBA:
1HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.74DETAILS - ALA1812546
Name:
(E)-3-(6-Fluoro-1H-indol-3-yl)acrylic acid methyl esterMol. Formula:
C12H10FNO2M.W.:
219.22Type:
Small moleculeAlogP:
2.49Polar Surface Area:
42.09HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.62DETAILS -
Type:
Small moleculeAlogP:
1.99Polar Surface Area:
70.25HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.71DETAILS -
Type:
Small moleculeAlogP:
1.85Polar Surface Area:
70.25HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.68DETAILS
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