Chemoinformaics analysis of HOLAPHYLLAMINE
Molecular Weight | 315.501 | nRot | 1 |
Heavy Atom Molecular Weight | 282.237 | nRig | 21 |
Exact Molecular Weight | 315.256 | nRing | 4 |
Solubility: LogS | -4.464 | nHRing | 0 |
Solubility: LogP | 3.989 | No. of Aliphatic Rings | 4 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 1 | No. of Aliphatic Carbocycles Rings | 4 |
Atoms Count | 56 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 23 | No. of Aromatic Carbocycles | 0 |
nHetero | 2 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 3 |
No. of Hydrogen atom | 33 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 21 | No. of Saturated Rings | 3 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 0 |
No. of Oxygen atom | 1 | No. of Arom Bond | 0 |
nHA | 2 | APOL | 58.9762 |
nHD | 1 | BPOL | 33.4038 |
QED | 0.725 |
Synth | 4.207 |
Natural Product Likeliness | 2.459 |
NR-PPAR-gamma | 0.007 |
Lipinski | Accepted |
Pfizer | Rejected |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.003 |
Pgp-sub | 0 |
HIA | 0.009 |
CACO-2 | -4.781 |
MDCK | 0.0000143 |
BBB | 0.862 |
PPB | 0.930834 |
VDSS | 1.111 |
FU | 0.0503715 |
CYP1A2-inh | 0.123 |
CYP1A2-sub | 0.551 |
CYP2c19-inh | 0.132 |
CYP2c19-sub | 0.879 |
CYP2c9-inh | 0.2 |
CYP2c9-sub | 0.079 |
CYP2d6-inh | 0.735 |
CYP2d6-sub | 0.913 |
CYP3a4-inh | 0.234 |
CYP3a4-sub | 0.326 |
CL | 21.288 |
T12 | 0.074 |
hERG | 0.036 |
Ames | 0.008 |
ROA | 0.146 |
SkinSen | 0.038 |
Carcinogencity | 0.182 |
EI | 0.008 |
Respiratory | 0.97 |
NR-Aromatase | 0.091 |
Antiviral | No |
Prediction | 0.64609 |