OSADHI - Online Structural and Analytics based Database for Herbs of India

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Chemoinformaics analysis of CANNABISATIVINE


Physiochemical Properties
Molecular Weight 381.561 nRot 6
Heavy Atom Molecular Weight 342.249 nRig 19
Exact Molecular Weight 381.299 nRing 2
Solubility: LogS -1.694 nHRing 2
Solubility: LogP 1.457 No. of Aliphatic Rings 2
Acid Count 0 No. of Aromatic Rings 0
Base Count 2 No. of Aliphatic Carbocycles Rings 0
Atoms Count 66 No. of Aliphatic Hetero Cycles 2
No. of Heavy Atom 27 No. of Aromatic Carbocycles 0
nHetero 6 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 39 No. of Saturated Hetero Cycles 1
No. of Carbon atom 21 No. of Saturated Rings 1
No. of Nitrogen atom 3 No. of Arom Atom 0
No. of Oxygen atom 3 No. of Arom Bond 0
nHA 5 APOL 66.7809
nHD 4 BPOL 42.8431
Medicinal Chemistry Properties
QED 0.415
Synth 4.639
Natural Product Likeliness 1.271
NR-PPAR-gamma 0.005
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.002
Pgp-sub 0.586
HIA 0.923
CACO-2 -5.272
Distribution
MDCK 0.0000029
BBB 0.294
PPB 0.356117
VDSS 0.717
Metabolism
FU 0.726055
CYP1A2-inh 0.009
CYP1A2-sub 0.063
CYP2c19-inh 0.023
CYP2c19-sub 0.3
CYP2c9-inh 0.001
CYP2c9-sub 0.065
CYP2d6-inh 0.793
CYP2d6-sub 0.553
CYP3a4-inh 0.008
CYP3a4-sub 0.272
Excretion
CL 8.793
T12 0.356
Toxicity
hERG 0.073
Ames 0.086
ROA 0.093
SkinSen 0.567
Carcinogencity 0.026
EI 0.006
Respiratory 0.64
NR-Aromatase 0.003
Antiviral Prediction
Antiviral Yes
Prediction 0.800213
OSADHI

A database of all the medicinal plants having PAN India presence.
Hosted at CSIR-North East Institute of Science and Technology, Jorhat

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