Chemoinformaics analysis of Chlorophorin
Molecular Weight | 380.484 | nRot | 7 |
Heavy Atom Molecular Weight | 352.26 | nRig | 15 |
Exact Molecular Weight | 380.199 | nRing | 2 |
Solubility: LogS | -2.988 | nHRing | 0 |
Solubility: LogP | 6.069 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 2 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 56 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 28 | No. of Aromatic Carbocycles | 2 |
nHetero | 4 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 28 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 24 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 12 |
No. of Oxygen atom | 4 | No. of Arom Bond | 12 |
nHA | 4 | APOL | 61.9582 |
nHD | 4 | BPOL | 28.0898 |
QED | 0.355 |
Synth | 2.923 |
Natural Product Likeliness | 1.754 |
NR-PPAR-gamma | 0.757 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Rejected |
Golden Triangle | Accepted |
Pgp-inh | 0.786 |
Pgp-sub | 0.774 |
HIA | 0.013 |
CACO-2 | -5.223 |
MDCK | 0.0000217 |
BBB | 0.014 |
PPB | 1.00532 |
VDSS | 0.905 |
FU | 0.00462402 |
CYP1A2-inh | 0.96 |
CYP1A2-sub | 0.576 |
CYP2c19-inh | 0.916 |
CYP2c19-sub | 0.057 |
CYP2c9-inh | 0.755 |
CYP2c9-sub | 0.97 |
CYP2d6-inh | 0.937 |
CYP2d6-sub | 0.915 |
CYP3a4-inh | 0.371 |
CYP3a4-sub | 0.157 |
CL | 11.044 |
T12 | 0.821 |
hERG | 0.313 |
Ames | 0.024 |
ROA | 0.063 |
SkinSen | 0.965 |
Carcinogencity | 0.057 |
EI | 0.915 |
Respiratory | 0.535 |
NR-Aromatase | 0.883 |
Antiviral | No |
Prediction | 0.706298 |