Type:
Small moleculeAlogP:
3.14Polar Surface Area:
74.60HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.69DETAILS
Type:
Small moleculeAlogP:
2.93Polar Surface Area:
77.76HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.62DETAILS
Type:
Small moleculeAlogP:
6.80Polar Surface Area:
74.60HBA:
3HBD:
2#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.43DETAILS
Type:
Small moleculeAlogP:
4.00Polar Surface Area:
98.75HBA:
9HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.45DETAILS
Type:
Small moleculeAlogP:
4.00Polar Surface Area:
98.75HBA:
9HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.45DETAILS-
Type:
Small moleculeAlogP:
1.40Polar Surface Area:
86.99HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.58DETAILS - ALA477331
Name:
6,8-Dihydroxy-10-methyl-7H-benz[de]anthracen-7-oneMol. Formula:
C18H12O3M.W.:
276.29Type:
Small moleculeAlogP:
3.77Polar Surface Area:
57.53HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.51DETAILS -
Type:
Small moleculeAlogP:
1.92Polar Surface Area:
153.75HBA:
9HBD:
5#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.33DETAILS -
Type:
Small moleculeAlogP:
1.92Polar Surface Area:
153.75HBA:
9HBD:
5#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.33DETAILS -
Type:
Small moleculeAlogP:
2.82Polar Surface Area:
133.52HBA:
8HBD:
4#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.41DETAILS -
Type:
Small moleculeAlogP:
3.77Polar Surface Area:
57.53HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.51DETAILS -
Type:
Small moleculeAlogP:
2.19Polar Surface Area:
83.83HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.72DETAILS -
Type:
Small moleculeAlogP:
1.25Polar Surface Area:
257.68HBA:
16HBD:
10#RO5 Violations:
3#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.12DETAILS -
Type:
Small moleculeAlogP:
1.89Polar Surface Area:
237.45HBA:
15HBD:
9#RO5 Violations:
3#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.13DETAILS -
Type:
Small moleculeAlogP:
0.88Polar Surface Area:
266.91HBA:
17HBD:
10#RO5 Violations:
3#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.11DETAILS -
Type:
Small moleculeAlogP:
4.00Polar Surface Area:
184.60HBA:
12HBD:
6#RO5 Violations:
3#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.12DETAILS -
Type:
Small moleculeAlogP:
1.25Polar Surface Area:
257.68HBA:
16HBD:
10#RO5 Violations:
3#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.12DETAILS -
Type:
Small moleculeAlogP:
1.89Polar Surface Area:
237.45HBA:
15HBD:
9#RO5 Violations:
3#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.13DETAILS - ALA517086
Name:
3beta-hydroxy-18alpha,19alpha-urs-20-en-28-oic acidMol. Formula:
C30H48O3M.W.:
456.71Type:
Small moleculeAlogP:
7.09Polar Surface Area:
57.53HBA:
2HBD:
2#RO5 Violations:
1#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.41DETAILS -
Type:
Small moleculeAlogP:
4.08Polar Surface Area:
58.92HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.89DETAILS
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