Chemoinformaics analysis of Folic
Molecular Weight | 698.803 | nRot | 7 |
Heavy Atom Molecular Weight | 644.371 | nRig | 37 |
Exact Molecular Weight | 698.351 | nRing | 7 |
Solubility: LogS | -2.111 | nHRing | 3 |
Solubility: LogP | -0.67 | No. of Aliphatic Rings | 7 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 4 |
Atoms Count | 103 | No. of Aliphatic Hetero Cycles | 3 |
No. of Heavy Atom | 49 | No. of Aromatic Carbocycles | 0 |
nHetero | 14 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 4 |
No. of Hydrogen atom | 54 | No. of Saturated Hetero Cycles | 2 |
No. of Carbon atom | 35 | No. of Saturated Rings | 6 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 14 | No. of Arom Bond | 0 |
nHA | 14 | APOL | 105.685 |
nHD | 8 | BPOL | 63.7212 |
QED | 0.174 |
Synth | 5.785 |
Natural Product Likeliness | 2.497 |
NR-PPAR-gamma | 0.325 |
Lipinski | Rejected |
Pfizer | Accepted |
GSK | Rejected |
Golden Triangle | Rejected |
Pgp-inh | 0.007 |
Pgp-sub | 0.128 |
HIA | 0.993 |
CACO-2 | -6.27 |
MDCK | 0.000122738 |
BBB | 0.129 |
PPB | 0.890465 |
VDSS | 0.366 |
FU | 0.108483 |
CYP1A2-inh | 0 |
CYP1A2-sub | 0.097 |
CYP2c19-inh | 0.001 |
CYP2c19-sub | 0.131 |
CYP2c9-inh | 0.001 |
CYP2c9-sub | 0.094 |
CYP2d6-inh | 0 |
CYP2d6-sub | 0.15 |
CYP3a4-inh | 0.024 |
CYP3a4-sub | 0.041 |
CL | 0.916 |
T12 | 0.101 |
hERG | 0.103 |
Ames | 0.098 |
ROA | 0.983 |
SkinSen | 0.014 |
Carcinogencity | 0.102 |
EI | 0.003 |
Respiratory | 0.829 |
NR-Aromatase | 0.89 |
Antiviral | Yes |
Prediction | 0.843064 |