Type:
UnknownAlogP:
3.16Polar Surface Area:
168.45HBA:
12HBD:
2#RO5 Violations:
2#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.13DETAILS
Type:
UnknownAlogP:
3.00Polar Surface Area:
168.45HBA:
12HBD:
2#RO5 Violations:
2#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.13DETAILS
Type:
UnknownAlogP:
2.89Polar Surface Area:
168.45HBA:
12HBD:
2#RO5 Violations:
2#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.14DETAILS
Type:
UnknownAlogP:
3.54Polar Surface Area:
168.45HBA:
12HBD:
2#RO5 Violations:
2#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.10DETAILS
Type:
UnknownAlogP:
2.23Polar Surface Area:
168.45HBA:
12HBD:
2#RO5 Violations:
2#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.15DETAILS-
Type:
UnknownAlogP:
2.98Polar Surface Area:
159.22HBA:
11HBD:
2#RO5 Violations:
2#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.17DETAILS -
Type:
UnknownAlogP:
2.90Polar Surface Area:
91.29HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.58DETAILS -
Type:
UnknownAlogP:
3.01Polar Surface Area:
177.68HBA:
13HBD:
2#RO5 Violations:
2#Rotatable Bonds:
16Passes Ro3:
NQED Weighted:
0.10DETAILS - 3-(1H-1，2，4-Triazol-1-yl)propanoic acid
Name:
3-(1H-1,2,4-triazol-1-yl)propanoic acidMol. Formula:
C5H7N3O2M.W.:
141.13Type:
Small moleculeAlogP:
-0.25Polar Surface Area:
68.01HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.63DETAILS - ALA2376787
Name:
N-[3beta,23-diacetoxy-19alpha-hydroxy-urs-12-en-28-oyl]-phenylamineMol. Formula:
C40H57NO6M.W.:
647.90Type:
Small moleculeAlogP:
7.87Polar Surface Area:
101.93HBA:
6HBD:
2#RO5 Violations:
2#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.25DETAILS -
Type:
Small moleculeAlogP:
7.94Polar Surface Area:
128.23HBA:
8HBD:
2#RO5 Violations:
2#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.17DETAILS -
Type:
Small moleculeAlogP:
6.30Polar Surface Area:
128.23HBA:
8HBD:
2#RO5 Violations:
2#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.13DETAILS -
Type:
Small moleculeAlogP:
6.30Polar Surface Area:
128.23HBA:
8HBD:
2#RO5 Violations:
2#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.18DETAILS -
Type:
Small moleculeAlogP:
5.91Polar Surface Area:
128.23HBA:
8HBD:
2#RO5 Violations:
2#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.15DETAILS - ALA2376782
Name:
N-[3beta,19alpha,23-trihydroxy-urs-12-en-28-oyl]-2-aminophenylcarbinolMol. Formula:
C37H55NO5M.W.:
593.85Type:
Small moleculeAlogP:
6.22Polar Surface Area:
110.02HBA:
5HBD:
5#RO5 Violations:
2#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.27DETAILS - ALA2376781
Name:
N-[3beta,19alpha,23-trihydroxy-urs-12-en-28-oyl]-3-aminopropanolMol. Formula:
C33H55NO5M.W.:
545.81Type:
Small moleculeAlogP:
4.59Polar Surface Area:
110.02HBA:
5HBD:
5#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.26DETAILS - ALA2376780
Name:
N-[3beta,19alpha,23-trihydroxy-urs-12-en-28-oyl]-2-aminopropanolMol. Formula:
C33H55NO5M.W.:
545.81Type:
Small moleculeAlogP:
4.59Polar Surface Area:
110.02HBA:
5HBD:
5#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.33DETAILS - ALA2376779
Name:
N-[3beta,19alpha, 23-trihydroxy-urs-12-en-28-oyl]-2-aminoethanolMol. Formula:
C32H53NO5M.W.:
531.78Type:
Small moleculeAlogP:
4.20Polar Surface Area:
110.02HBA:
5HBD:
5#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.35DETAILS -
Type:
Small moleculeAlogP:
7.36Polar Surface Area:
122.16HBA:
7HBD:
3#RO5 Violations:
2#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.21DETAILS - ALA2376777
Name:
N-[3beta,23-diacetoxy-19alpha-hydroxy-urs-12-en-28-oyl]-3-aminopropanolMol. Formula:
C37H59NO7M.W.:
629.88Type:
Small moleculeAlogP:
5.73Polar Surface Area:
122.16HBA:
7HBD:
3#RO5 Violations:
2#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.19DETAILS
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