Chemoinformaics analysis of RHYNCHOPHYLLINE
Molecular Weight | 384.476 | nRot | 4 |
Heavy Atom Molecular Weight | 356.252 | nRig | 23 |
Exact Molecular Weight | 384.205 | nRing | 4 |
Solubility: LogS | -3.669 | nHRing | 3 |
Solubility: LogP | 2.851 | No. of Aliphatic Rings | 3 |
Acid Count | 0 | No. of Aromatic Rings | 1 |
Base Count | 1 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 56 | No. of Aliphatic Hetero Cycles | 3 |
No. of Heavy Atom | 28 | No. of Aromatic Carbocycles | 1 |
nHetero | 6 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 28 | No. of Saturated Hetero Cycles | 2 |
No. of Carbon atom | 22 | No. of Saturated Rings | 2 |
No. of Nitrogen atom | 2 | No. of Arom Atom | 6 |
No. of Oxygen atom | 4 | No. of Arom Bond | 6 |
nHA | 5 | APOL | 60.8182 |
nHD | 1 | BPOL | 35.5778 |
QED | 0.491 |
Synth | 4.656 |
Natural Product Likeliness | 1.881 |
NR-PPAR-gamma | 0.004 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.986 |
Pgp-sub | 0.002 |
HIA | 0.006 |
CACO-2 | -4.631 |
MDCK | 0.0000329 |
BBB | 0.997 |
PPB | 0.675539 |
VDSS | 1.285 |
FU | 0.402737 |
CYP1A2-inh | 0.042 |
CYP1A2-sub | 0.735 |
CYP2c19-inh | 0.402 |
CYP2c19-sub | 0.959 |
CYP2c9-inh | 0.319 |
CYP2c9-sub | 0.223 |
CYP2d6-inh | 0.939 |
CYP2d6-sub | 0.852 |
CYP3a4-inh | 0.879 |
CYP3a4-sub | 0.921 |
CL | 10.912 |
T12 | 0.3 |
hERG | 0.503 |
Ames | 0.066 |
ROA | 0.497 |
SkinSen | 0.195 |
Carcinogencity | 0.87 |
EI | 0.008 |
Respiratory | 0.936 |
NR-Aromatase | 0.006 |
Antiviral | No |
Prediction | 0.61354 |