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

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Chemoinformaics analysis of CYCLOHEXANEMETHANOL


Physiochemical Properties
Molecular Weight 114.188 nRot 1
Heavy Atom Molecular Weight 100.076 nRig 6
Exact Molecular Weight 114.104 nRing 1
Solubility: LogS -1.422 nHRing 0
Solubility: LogP 2.051 No. of Aliphatic Rings 1
Acid Count 0 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 1
Atoms Count 22 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 8 No. of Aromatic Carbocycles 0
nHetero 1 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 1
No. of Hydrogen atom 14 No. of Saturated Hetero Cycles 0
No. of Carbon atom 7 No. of Saturated Rings 1
No. of Nitrogen atom 0 No. of Arom Atom 0
No. of Oxygen atom 1 No. of Arom Bond 0
nHA 1 APOL 21.8271
nHD 1 BPOL 14.0449
Medicinal Chemistry Properties
QED 0.548
Synth 1.767
Natural Product Likeliness 0.49
NR-PPAR-gamma 0.006
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Rejected
Absorption
Pgp-inh 0
Pgp-sub 0.026
HIA 0.004
CACO-2 -4.264
Distribution
MDCK 0.00003
BBB 0.988
PPB 0.565834
VDSS 0.977
Metabolism
FU 0.455842
CYP1A2-inh 0.552
CYP1A2-sub 0.71
CYP2c19-inh 0.101
CYP2c19-sub 0.328
CYP2c9-inh 0.066
CYP2c9-sub 0.286
CYP2d6-inh 0.025
CYP2d6-sub 0.359
CYP3a4-inh 0.037
CYP3a4-sub 0.161
Excretion
CL 9.049
T12 0.643
Toxicity
hERG 0.037
Ames 0.017
ROA 0.037
SkinSen 0.785
Carcinogencity 0.2
EI 0.992
Respiratory 0.202
NR-Aromatase 0.011
Antiviral Prediction
Antiviral No
Prediction 0.958689
OSADHI

A database of all the medicinal plants having PAN India presence.
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