Chemoinformaics analysis of  Cannabichromenic-Acid


Molecular Weight 358.478 nRot 8
Heavy Atom Molecular Weight 328.238 nRig 14
Exact Molecular Weight 358.214 nRing 2
Solubility: LogS -3.487 nHRing 1
Solubility: LogP 6.774 No. of Aliphatic Rings 1
Acid Count 1 No. of Aromatic Rings 1
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 56 No. of Aliphatic Hetero Cycles 1
No. of Heavy Atom 26 No. of Aromatic Carbocycles 1
nHetero 4 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 30 No. of Saturated Hetero Cycles 0
No. of Carbon atom 22 No. of Saturated Rings 0
No. of Nitrogen atom 0 No. of Arom Atom 6
No. of Oxygen atom 4 No. of Arom Bond 6
nHA 3 APOL 59.9518
nHD 2 BPOL 32.7002
QED 0.568
Synth 4.158
Natural Product Likeliness 1.714
NR-PPAR-gamma 0.978
Lipinski Accepted
Pfizer Rejected
GSK Rejected
Golden Triangle Accepted
Pgp-inh 0.019
Pgp-sub 0.004
HIA 0.013
CACO-2 -4.775
MDCK 0.0000265
BBB 0.078
PPB 0.977431
VDSS 1.776
FU 0.0445035
CYP1A2-inh 0.388
CYP1A2-sub 0.254
CYP2c19-inh 0.035
CYP2c19-sub 0.296
CYP2c9-inh 0.268
CYP2c9-sub 0.284
CYP2d6-inh 0.373
CYP2d6-sub 0.122
CYP3a4-inh 0.096
CYP3a4-sub 0.038
CL 2.05
T12 0.357
hERG 0.068
Ames 0.003
ROA 0.064
SkinSen 0.662
Carcinogencity 0.35
EI 0.042
Respiratory 0.747
NR-Aromatase 0.04
Antiviral No
Prediction 0.722002