Type:
UnknownAlogP:
6.59Polar Surface Area:
131.87HBA:
5HBD:
1#RO5 Violations:
2#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.18DETAILS
Type:
UnknownAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
Type:
UnknownAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
Type:
Small moleculeAlogP:
0.28Polar Surface Area:
263.75HBA:
17HBD:
9#RO5 Violations:
3#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.15DETAILS
ALA2420026Name:
Anagalligenone-3-O-[beta-D-glucopyranosyl(1->4)-alpha-L-ArabinopyranosideMol. Formula:
C41H66O13M.W.:
766.97Type:
Small moleculeAlogP:
1.82Polar Surface Area:
204.83HBA:
13HBD:
7#RO5 Violations:
3#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.19DETAILS-
Type:
Small moleculeAlogP:
4.00Polar Surface Area:
125.68HBA:
8HBD:
4#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.36DETAILS - ALA2420024
Name:
13beta-28-Epoxy-22alpha,23-dihydroxyolean-3,16-dioneMol. Formula:
C30H46O5M.W.:
486.69Type:
Small moleculeAlogP:
4.71Polar Surface Area:
83.83HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.56DETAILS - ALA2420023
Name:
13beta-28-Epoxy-3beta,22alpha,23-trihydroxyolean-16-oneMol. Formula:
C30H48O5M.W.:
488.71Type:
Small moleculeAlogP:
4.50Polar Surface Area:
86.99HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.51DETAILS - ALA1923258
Name:
(S,E)-2-cyano-3-phenyl-N-(1-phenylbutyl)acrylamideMol. Formula:
C20H20N2OM.W.:
304.39Type:
Small moleculeAlogP:
4.25Polar Surface Area:
52.89HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.64DETAILS - ALA1923256
Name:
(S,E)-2-Cyano-3-(4-nitrophenyl)-N-(1-phenylbutyl)acrylamideMol. Formula:
C20H19N3O3M.W.:
349.39Type:
Small moleculeAlogP:
4.16Polar Surface Area:
96.03HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.35DETAILS -
Type:
Small moleculeAlogP:
4.85Polar Surface Area:
56.13HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.57DETAILS -
Type:
Small moleculeAlogP:
3.17Polar Surface Area:
92.08HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.34DETAILS -
Type:
Small moleculeAlogP:
5.67Polar Surface Area:
65.78HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.26DETAILS - ALA1923245
Name:
(S,E)-3-(6-Bromopyridin-2-yl)-2-cyano-N-(1-(4-fluorophenyl)ethyl)acrylamideMol. Formula:
C17H13BrFN3OM.W.:
374.21Type:
Small moleculeAlogP:
3.77Polar Surface Area:
65.78HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.50DETAILS -
Type:
Small moleculeAlogP:
4.17Polar Surface Area:
65.78HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.47DETAILS -
Type:
Small moleculeAlogP:
3.94Polar Surface Area:
65.78HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.50DETAILS -
Type:
Small moleculeAlogP:
3.55Polar Surface Area:
65.78HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.51DETAILS - ALA604872
Name:
4-isobutyl-3,8a-dihydroimidazo[4,5-c]azepin-2-amineMol. Formula:
C11H16N4M.W.:
204.28Type:
Small moleculeAlogP:
1.17Polar Surface Area:
62.77HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.71DETAILS - ALA589880
Name:
4-isopropyl-3,8a-dihydroimidazo[4,5-c]azepin-2-amineMol. Formula:
C10H14N4M.W.:
190.25Type:
Small moleculeAlogP:
0.78Polar Surface Area:
62.77HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.64DETAILS
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