Type:
---AlogP:
5.04Polar Surface Area:
66.49HBA:
4HBD:
2#RO5 Violations:
1#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.75DETAILS
ALA5207698Name:
(5S,8R,9R,10S)-2S-Acetoxy-6S-methoxyclerod-3,12,14-trien-18,19-dialMol. Formula:
C23H32O5M.W.:
388.50Type:
---AlogP:
3.83Polar Surface Area:
69.67HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.38DETAILS
ALA5205013Name:
8-ethynyl-1-methyl-6-phenyl-4H-benzo[f][1,2,4]triazolo[4,3-a][1,4]diazepineMol. Formula:
C19H14N4M.W.:
298.35Type:
---AlogP:
2.91Polar Surface Area:
43.07HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.65DETAILS
ALA5204011Name:
(5S,8R,9R,10S)-2S-Acetoxy-6S-hydroxyclerod-3,12,14-trien-18,19-dialMol. Formula:
C22H30O5M.W.:
374.48Type:
---AlogP:
3.18Polar Surface Area:
80.67HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.44DETAILS
ALA5200186Name:
(2R)-Propanoyloxy-(6R)-methoxy-18R,19S-diacetoxyzuelaninMol. Formula:
C28H40O8M.W.:
504.62Type:
---AlogP:
4.63Polar Surface Area:
97.36HBA:
8HBD:
---#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.20DETAILS-
Type:
---AlogP:
2.30Polar Surface Area:
55.96HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.65DETAILS - ALA5195108
Name:
(R)-7-Bromo-3-methyl-5-phenyl-1,3-dihydro-2H-benzo[e][1,4]diazepin-2-oneMol. Formula:
C16H13BrN2OM.W.:
329.20Type:
---AlogP:
3.63Polar Surface Area:
41.46HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.85DETAILS -
Type:
---AlogP:
2.62Polar Surface Area:
32.67HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.74DETAILS -
Type:
---AlogP:
3.47Polar Surface Area:
43.07HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.65DETAILS -
Type:
---AlogP:
4.16Polar Surface Area:
114.43HBA:
9HBD:
---#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.21DETAILS - ALA5182951
Name:
(2R)-2-Methylpropenoyloxy-6S-hydroxy-18S-methoxy-19S-acetoxyzuelaninMol. Formula:
C27H38O7M.W.:
474.59Type:
---AlogP:
4.23Polar Surface Area:
91.29HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.26DETAILS -
Type:
---AlogP:
4.15Polar Surface Area:
108.36HBA:
8HBD:
1#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.18DETAILS -
Type:
---AlogP:
3.05Polar Surface Area:
43.07HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.65DETAILS - ALA5179487
Name:
(S)-7-Bromo-3-methyl-5-phenyl-1,3-dihydro-2H-benzo[e][1,4]diazepin-2-oneMol. Formula:
C16H13BrN2OM.W.:
329.20Type:
---AlogP:
3.63Polar Surface Area:
41.46HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.85DETAILS -
Type:
---AlogP:
3.59Polar Surface Area:
108.36HBA:
8HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.27DETAILS -
Type:
---AlogP:
4.24Polar Surface Area:
97.36HBA:
8HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.23DETAILS -
Type:
---AlogP:
3.67Polar Surface Area:
91.29HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.38DETAILS -
Type:
---AlogP:
3.14Polar Surface Area:
32.67HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.74DETAILS -
Type:
UnknownAlogP:
2.52Polar Surface Area:
35.94HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.92DETAILS -
Type:
UnknownAlogP:
3.17Polar Surface Area:
15.71HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.85DETAILS
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