Chemoinformaics analysis of Horhammericine
Molecular Weight | 368.433 | nRot | 2 |
Heavy Atom Molecular Weight | 344.241 | nRig | 26 |
Exact Molecular Weight | 368.174 | nRing | 6 |
Solubility: LogS | -2.621 | nHRing | 4 |
Solubility: LogP | 1.248 | No. of Aliphatic Rings | 5 |
Acid Count | 0 | No. of Aromatic Rings | 1 |
Base Count | 1 | No. of Aliphatic Carbocycles Rings | 1 |
Atoms Count | 51 | No. of Aliphatic Hetero Cycles | 4 |
No. of Heavy Atom | 27 | No. of Aromatic Carbocycles | 1 |
nHetero | 6 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 24 | No. of Saturated Hetero Cycles | 3 |
No. of Carbon atom | 21 | No. of Saturated Rings | 3 |
No. of Nitrogen atom | 2 | No. of Arom Atom | 6 |
No. of Oxygen atom | 4 | No. of Arom Bond | 6 |
nHA | 6 | APOL | 56.481 |
nHD | 2 | BPOL | 30.697 |
QED | 0.631 |
Synth | 5.461 |
Natural Product Likeliness | 2.027 |
NR-PPAR-gamma | 0.007 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.252 |
Pgp-sub | 0.934 |
HIA | 0.007 |
CACO-2 | -5.023 |
MDCK | 0.0000218 |
BBB | 0.886 |
PPB | 0.400463 |
VDSS | 2.517 |
FU | 0.624935 |
CYP1A2-inh | 0.026 |
CYP1A2-sub | 0.278 |
CYP2c19-inh | 0.026 |
CYP2c19-sub | 0.945 |
CYP2c9-inh | 0.019 |
CYP2c9-sub | 0.189 |
CYP2d6-inh | 0.065 |
CYP2d6-sub | 0.82 |
CYP3a4-inh | 0.073 |
CYP3a4-sub | 0.782 |
CL | 7.051 |
T12 | 0.133 |
hERG | 0.085 |
Ames | 0.386 |
ROA | 0.879 |
SkinSen | 0.056 |
Carcinogencity | 0.74 |
EI | 0.029 |
Respiratory | 0.935 |
NR-Aromatase | 0.735 |
Antiviral | Yes |
Prediction | 0.538459 |