Chemoinformaics analysis of Pulchellin F
Molecular Weight | 346.423 | nRot | 2 |
Heavy Atom Molecular Weight | 320.215 | nRig | 20 |
Exact Molecular Weight | 346.178 | nRing | 3 |
Solubility: LogS | -3.063 | nHRing | 1 |
Solubility: LogP | 1.605 | No. of Aliphatic Rings | 3 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 2 |
Atoms Count | 51 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 25 | No. of Aromatic Carbocycles | 0 |
nHetero | 5 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 2 |
No. of Hydrogen atom | 26 | No. of Saturated Hetero Cycles | 1 |
No. of Carbon atom | 20 | No. of Saturated Rings | 3 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 5 | No. of Arom Bond | 0 |
nHA | 5 | APOL | 54.7466 |
nHD | 1 | BPOL | 31.2914 |
QED | 0.473 |
Synth | 4.981 |
Natural Product Likeliness | 3.269 |
NR-PPAR-gamma | 0.016 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.33 |
Pgp-sub | 0.001 |
HIA | 0.037 |
CACO-2 | -4.809 |
MDCK | 0.0000197 |
BBB | 0.005 |
PPB | 0.823091 |
VDSS | 1.743 |
FU | 0.14771 |
CYP1A2-inh | 0.096 |
CYP1A2-sub | 0.235 |
CYP2c19-inh | 0.355 |
CYP2c19-sub | 0.618 |
CYP2c9-inh | 0.681 |
CYP2c9-sub | 0.124 |
CYP2d6-inh | 0.288 |
CYP2d6-sub | 0.105 |
CYP3a4-inh | 0.859 |
CYP3a4-sub | 0.297 |
CL | 6.084 |
T12 | 0.501 |
hERG | 0.036 |
Ames | 0.017 |
ROA | 0.699 |
SkinSen | 0.885 |
Carcinogencity | 0.133 |
EI | 0.611 |
Respiratory | 0.949 |
NR-Aromatase | 0.941 |
Antiviral | Yes |
Prediction | 0.665002 |