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

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Chemoinformaics analysis of CANNABIFURAN


Physiochemical Properties
Molecular Weight 310.437 nRot 5
Heavy Atom Molecular Weight 284.229 nRig 15
Exact Molecular Weight 310.193 nRing 3
Solubility: LogS -7.024 nHRing 1
Solubility: LogP 7.139 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 3
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 49 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 23 No. of Aromatic Carbocycles 2
nHetero 2 No. of Aromatic Hetero Cycles 1
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 26 No. of Saturated Hetero Cycles 0
No. of Carbon atom 21 No. of Saturated Rings 0
No. of Nitrogen atom 0 No. of Arom Atom 13
No. of Oxygen atom 2 No. of Arom Bond 15
nHA 2 APOL 54.0106
nHD 1 BPOL 27.8194
Medicinal Chemistry Properties
QED 0.549
Synth 2.552
Natural Product Likeliness 0.603
NR-PPAR-gamma 0.946
Drug Likeliness
Lipinski Accepted
Pfizer Rejected
GSK Rejected
Golden Triangle Rejected
Absorption
Pgp-inh 0.986
Pgp-sub 0.397
HIA 0.005
CACO-2 -5.091
Distribution
MDCK 0.0000117
BBB 0.132
PPB 1.00222
VDSS 2.414
Metabolism
FU 0.0203383
CYP1A2-inh 0.962
CYP1A2-sub 0.782
CYP2c19-inh 0.909
CYP2c19-sub 0.214
CYP2c9-inh 0.723
CYP2c9-sub 0.943
CYP2d6-inh 0.719
CYP2d6-sub 0.9
CYP3a4-inh 0.205
CYP3a4-sub 0.23
Excretion
CL 5.423
T12 0.097
Toxicity
hERG 0.026
Ames 0.66
ROA 0.267
SkinSen 0.747
Carcinogencity 0.115
EI 0.903
Respiratory 0.726
NR-Aromatase 0.859
Antiviral Prediction
Antiviral No
Prediction 0.641836
OSADHI

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

Our Other Tools

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