Type:
---AlogP:
3.28Polar Surface Area:
76.38HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.42DETAILS
Type:
---AlogP:
3.41Polar Surface Area:
67.15HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.44DETAILS
ALA4586497Name:
2-Amino-6-chloro-4-(3-nitrophenyl)-4H-benzo[h]chromene-3-carbonitrileMol. Formula:
C20H12ClN3O3M.W.:
377.79Type:
UnknownAlogP:
4.62Polar Surface Area:
102.18HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.52DETAILS
ALA4586349Name:
2-Amino-6-chloro-4-(3-bromophenyl)-4H-benzo[h]chromene-3-carbonitrileMol. Formula:
C20H12BrClN2OM.W.:
411.69Type:
UnknownAlogP:
5.47Polar Surface Area:
59.04HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.58DETAILS
ALA4585739Name:
2-Amino-4-(3-methoxy-4-benzyloxyphenyl)-4H-benzo[h]chromene-3-carbonitrileMol. Formula:
C28H22N2O3M.W.:
434.50Type:
UnknownAlogP:
5.65Polar Surface Area:
77.50HBA:
5HBD:
1#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.44DETAILS- ALA4582427
Name:
2alpha,3beta-Diacetyloxy-olean-12-en-28-oic acid phenylamideMol. Formula:
C40H57NO5M.W.:
631.90Type:
UnknownAlogP:
8.90Polar Surface Area:
81.70HBA:
5HBD:
1#RO5 Violations:
2#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.27DETAILS - ALA4567907
Name:
2-amino-4-(4-cyanophenyl)-4H-benzo[h]chromene-3-carbonitrileMol. Formula:
C21H13N3OM.W.:
323.36Type:
UnknownAlogP:
3.93Polar Surface Area:
82.83HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.74DETAILS - ALA4563430
Name:
2beta,3beta-Diacetyloxy-urs-12-en-28-oic acid phenylamideMol. Formula:
C40H57NO5M.W.:
631.90Type:
UnknownAlogP:
8.76Polar Surface Area:
81.70HBA:
5HBD:
1#RO5 Violations:
2#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.27DETAILS -
Type:
UnknownAlogP:
8.66Polar Surface Area:
90.93HBA:
6HBD:
1#RO5 Violations:
2#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.26DETAILS - ALA4558563
Name:
2-Amino-6-chloro-4-(4-cyanophenyl)-4H-benzo[h]chromene-3-carbonitrileMol. Formula:
C21H12ClN3OM.W.:
357.80Type:
UnknownAlogP:
4.58Polar Surface Area:
82.83HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.69DETAILS -
Type:
UnknownAlogP:
8.21Polar Surface Area:
83.83HBA:
4HBD:
2#RO5 Violations:
2#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.27DETAILS -
Type:
UnknownAlogP:
7.89Polar Surface Area:
170.11HBA:
8HBD:
2#RO5 Violations:
2#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.14DETAILS - ALA4547354
Name:
2-Amino-6-chloro-4-(3,5-difluorophenyl)-4H-benzo[h]chromene-3-carbonitrileMol. Formula:
C20H11ClF2N2OM.W.:
368.77Type:
UnknownAlogP:
4.99Polar Surface Area:
59.04HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.66DETAILS -
Type:
UnknownAlogP:
8.80Polar Surface Area:
90.93HBA:
6HBD:
1#RO5 Violations:
2#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.26DETAILS - ALA4536562
Name:
2-Amino-4-(4-pentafluorothiophenyl)-4H-benzo[h]chromene-3-carbonitrileMol. Formula:
C20H13F5N2OSM.W.:
424.39Type:
UnknownAlogP:
6.72Polar Surface Area:
59.04HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.46DETAILS - ALA4535228
Name:
2alpha,3beta-(Isopropylidenedioxy)-olean-12-en-28-oic acid benzylamideMol. Formula:
C40H59NO3M.W.:
601.92Type:
UnknownAlogP:
9.23Polar Surface Area:
47.56HBA:
3HBD:
1#RO5 Violations:
2#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.35DETAILS -
Type:
UnknownAlogP:
6.78Polar Surface Area:
83.83HBA:
4HBD:
2#RO5 Violations:
2#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.31DETAILS - ALA4531265
Name:
2beta,3alpha-Diacetyloxy-olean-12-en-28-oic acid benzylamideMol. Formula:
C41H59NO5M.W.:
645.93Type:
UnknownAlogP:
8.58Polar Surface Area:
81.70HBA:
5HBD:
1#RO5 Violations:
2#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.26DETAILS - ALA4530735
Name:
2alpha,3alpha-Diacetyloxy-olean-12-en-28-oic acidMol. Formula:
C34H52O6M.W.:
556.78Type:
UnknownAlogP:
7.35Polar Surface Area:
89.90HBA:
5HBD:
1#RO5 Violations:
2#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.29DETAILS - ALA4525193
Name:
N-[2beta,3beta-Diacetyloxy-17beta-amino-28-norolean-12-en-17-yl]-phenylureaMol. Formula:
C40H58N2O5M.W.:
646.91Type:
UnknownAlogP:
8.84Polar Surface Area:
93.73HBA:
5HBD:
2#RO5 Violations:
2#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.25DETAILS
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