Chemoinformaics analysis of Stenophyllanin B
Molecular Weight | 1208.91 | nRot | 5 |
Heavy Atom Molecular Weight | 1168.58 | nRig | 71 |
Exact Molecular Weight | 1208.16 | nRing | 11 |
Solubility: LogS | -2.568 | nHRing | 4 |
Solubility: LogP | 2.446 | No. of Aliphatic Rings | 4 |
Acid Count | 0 | No. of Aromatic Rings | 7 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 127 | No. of Aliphatic Hetero Cycles | 4 |
No. of Heavy Atom | 87 | No. of Aromatic Carbocycles | 7 |
nHetero | 31 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 4 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 40 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 56 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 42 |
No. of Oxygen atom | 31 | No. of Arom Bond | 42 |
nHA | 31 | APOL | 145.054 |
nHD | 20 | BPOL | 54.8843 |
QED | 0.067 |
Synth | 7.499 |
Natural Product Likeliness | 1.251 |
NR-PPAR-gamma | 0.038 |
Lipinski | Rejected |
Pfizer | Accepted |
GSK | Rejected |
Golden Triangle | Rejected |
Pgp-inh | 0.231 |
Pgp-sub | 0 |
HIA | 1 |
CACO-2 | -7.51 |
MDCK | 0.00000189 |
BBB | 0 |
PPB | 0.956779 |
VDSS | 0.031 |
FU | 0.818026 |
CYP1A2-inh | 0.004 |
CYP1A2-sub | 0.004 |
CYP2c19-inh | 0.003 |
CYP2c19-sub | 0.014 |
CYP2c9-inh | 0.101 |
CYP2c9-sub | 0.012 |
CYP2d6-inh | 0 |
CYP2d6-sub | 0.052 |
CYP3a4-inh | 0.001 |
CYP3a4-sub | 0.011 |
CL | 9.755 |
T12 | 0.932 |
hERG | 0.003 |
Ames | 0.06 |
ROA | 0 |
SkinSen | 0.966 |
Carcinogencity | 0.003 |
EI | 0.946 |
Respiratory | 0 |
NR-Aromatase | 0.164 |
Antiviral | Yes |
Prediction | 0.614615 |