Chemoinformaics analysis of Dihydrolycorine
Molecular Weight | 289.331 | nRot | 0 |
Heavy Atom Molecular Weight | 270.179 | nRig | 23 |
Exact Molecular Weight | 289.131 | nRing | 5 |
Solubility: LogS | -2.124 | nHRing | 3 |
Solubility: LogP | 0.985 | No. of Aliphatic Rings | 4 |
Acid Count | 0 | No. of Aromatic Rings | 1 |
Base Count | 1 | No. of Aliphatic Carbocycles Rings | 1 |
Atoms Count | 40 | No. of Aliphatic Hetero Cycles | 3 |
No. of Heavy Atom | 21 | No. of Aromatic Carbocycles | 1 |
nHetero | 5 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 1 |
No. of Hydrogen atom | 19 | No. of Saturated Hetero Cycles | 1 |
No. of Carbon atom | 16 | No. of Saturated Rings | 2 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 6 |
No. of Oxygen atom | 4 | No. of Arom Bond | 6 |
nHA | 5 | APOL | 43.6971 |
nHD | 2 | BPOL | 24.2429 |
QED | 0.741 |
Synth | 4.077 |
Natural Product Likeliness | 1.856 |
NR-PPAR-gamma | 0.003 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.004 |
Pgp-sub | 0.943 |
HIA | 0.003 |
CACO-2 | -4.848 |
MDCK | 0.0000174 |
BBB | 0.934 |
PPB | 0.503404 |
VDSS | 3.203 |
FU | 0.349098 |
CYP1A2-inh | 0.702 |
CYP1A2-sub | 0.85 |
CYP2c19-inh | 0.068 |
CYP2c19-sub | 0.877 |
CYP2c9-inh | 0.008 |
CYP2c9-sub | 0.457 |
CYP2d6-inh | 0.902 |
CYP2d6-sub | 0.782 |
CYP3a4-inh | 0.163 |
CYP3a4-sub | 0.419 |
CL | 16.773 |
T12 | 0.599 |
hERG | 0.064 |
Ames | 0.071 |
ROA | 0.577 |
SkinSen | 0.175 |
Carcinogencity | 0.762 |
EI | 0.018 |
Respiratory | 0.924 |
NR-Aromatase | 0.007 |
Antiviral | Yes |
Prediction | 0.747552 |