ALA5285987Name:
(2R,3R,4R)-2,3,4,5-tetrahydroxy-N-(9-(propylamino)nonyl)pentanamideMol. Formula:
C17H36N2O5M.W.:
348.48Type:
---AlogP:
-0.09Polar Surface Area:
122.05HBA:
6HBD:
6#RO5 Violations:
1#Rotatable Bonds:
16Passes Ro3:
NQED Weighted:
0.22DETAILS
Type:
---AlogP:
4.24Polar Surface Area:
38.05HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
15Passes Ro3:
NQED Weighted:
0.43DETAILS
Type:
Small moleculeAlogP:
3.09Polar Surface Area:
59.08HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.68DETAILS
ALA2420162Name:
N,N'-bis(4-methoxyphenyl)benzimidamide HydrochlorideMol. Formula:
C21H21ClN2O2M.W.:
368.86Type:
Small moleculeAlogP:
4.89Polar Surface Area:
42.85HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.53DETAILS
ALA2420161Name:
4-methoxy-N'-(4-methoxyphenyl)-N-phenylbenzimidamide HydrochlorideMol. Formula:
C21H21ClN2O2M.W.:
368.86Type:
Small moleculeAlogP:
4.89Polar Surface Area:
42.85HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.53DETAILS- ALA2420160
Name:
4-methoxy-N,N'-diphenylbenzimidamide HydrochlorideMol. Formula:
C20H19ClN2OM.W.:
338.84Type:
Small moleculeAlogP:
4.89Polar Surface Area:
33.62HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.55DETAILS -
Type:
Small moleculeAlogP:
4.69Polar Surface Area:
137.03HBA:
9HBD:
2#RO5 Violations:
1#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.21DETAILS - ALA1169867
Name:
1,4-Epoxy-2-exo-(2'-chlorophenyl)-2,3,4,5-tetrahydro-1(1H)-benzazepineMol. Formula:
C16H14ClNOM.W.:
271.75Type:
Small moleculeAlogP:
4.15Polar Surface Area:
12.47HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.77DETAILS -
Type:
Small moleculeAlogP:
4.29Polar Surface Area:
12.47HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.78DETAILS -
Type:
Small moleculeAlogP:
4.91Polar Surface Area:
12.47HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.72DETAILS -
Type:
Small moleculeAlogP:
4.80Polar Surface Area:
12.47HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.75DETAILS -
Type:
Small moleculeAlogP:
4.11Polar Surface Area:
12.47HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.77DETAILS - ALA1172778
Name:
1,4-Epoxy-2-exo-(3'-chlorophenyl)-2,3,4,5-tetrahydro-1(1H)-benzazepineMol. Formula:
C16H14ClNOM.W.:
271.75Type:
Small moleculeAlogP:
4.15Polar Surface Area:
12.47HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.77DETAILS - ALA1172846
Name:
7-Fluoro-cis-4-hydroxy-2-phenyl-2,3,4,5-tetrahydro-1(1H)-benzazepineMol. Formula:
C16H16FNOM.W.:
257.31Type:
Small moleculeAlogP:
3.29Polar Surface Area:
32.26HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.82DETAILS - ALA1172845
Name:
7-Chloro-cis-4-hydroxy-2-phenyl-2,3,4,5-tetrahydro-1(1H)-benzazepineMol. Formula:
C16H16ClNOM.W.:
273.76Type:
Small moleculeAlogP:
3.80Polar Surface Area:
32.26HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.83DETAILS - ALA1172384
Name:
7-Bromo-cis-4-hydroxy-2-phenyl-2,3,4,5-tetrahydro-1(1H)-benzazepineMol. Formula:
C16H16BrNOM.W.:
318.21Type:
Small moleculeAlogP:
3.91Polar Surface Area:
32.26HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.84DETAILS -
Type:
Small moleculeAlogP:
4.05Polar Surface Area:
41.49HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.88DETAILS - ALA1173183
Name:
cis-4-Hydroxy-2-phenyl-2,3,4,5-tetrahydro-1(1H)-benzazepineMol. Formula:
C16H17NOM.W.:
239.32Type:
Small moleculeAlogP:
3.15Polar Surface Area:
32.26HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.80DETAILS -
Type:
Small moleculeAlogP:
4.94Polar Surface Area:
12.47HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.74DETAILS -
Type:
Small moleculeAlogP:
5.45Polar Surface Area:
12.47HBA:
2HBD:
---#RO5 Violations:
1#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.68DETAILS
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