Chemoinformaics analysis of  Lachnanthocarpone
Molecular Weight | 288.302 | nRot | 1 |
Heavy Atom Molecular Weight | 276.206 | nRig | 23 |
Exact Molecular Weight | 288.079 | nRing | 4 |
Solubility: LogS | -5.591 | nHRing | 0 |
Solubility: LogP | 3.772 | No. of Aliphatic Rings | 1 |
Acid Count | 0 | No. of Aromatic Rings | 3 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 1 |
Atoms Count | 34 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 22 | No. of Aromatic Carbocycles | 3 |
nHetero | 3 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 12 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 19 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 16 |
No. of Oxygen atom | 3 | No. of Arom Bond | 17 |
nHA | 3 | APOL | 42.1375 |
nHD | 2 | BPOL | 12.9065 |
QED | 0.697 |
Synth | 2.353 |
Natural Product Likeliness | 0.804 |
NR-PPAR-gamma | 0.984 |
Lipinski | Accepted |
Pfizer | Rejected |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.009 |
Pgp-sub | 0 |
HIA | 0.005 |
CACO-2 | -4.811 |
MDCK | 0.0000195 |
BBB | 0.199 |
PPB | 0.996293 |
VDSS | 0.386 |
FU | 0.0085776 |
CYP1A2-inh | 0.976 |
CYP1A2-sub | 0.103 |
CYP2c19-inh | 0.863 |
CYP2c19-sub | 0.063 |
CYP2c9-inh | 0.742 |
CYP2c9-sub | 0.874 |
CYP2d6-inh | 0.531 |
CYP2d6-sub | 0.536 |
CYP3a4-inh | 0.454 |
CYP3a4-sub | 0.148 |
CL | 7.251 |
T12 | 0.204 |
hERG | 0.029 |
Ames | 0.829 |
ROA | 0.153 |
SkinSen | 0.872 |
Carcinogencity | 0.89 |
EI | 0.954 |
Respiratory | 0.065 |
NR-Aromatase | 0.575 |
Antiviral | Yes |
Prediction | 0.660158 |