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

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Chemoinformaics analysis of 9-DIAZOFLUORENE


Physiochemical Properties
Molecular Weight 192.221 nRot 0
Heavy Atom Molecular Weight 184.157 nRig 17
Exact Molecular Weight 192.069 nRing 3
Solubility: LogS -4.778 nHRing 0
Solubility: LogP 3.171 No. of Aliphatic Rings 1
Acid Count 0 No. of Aromatic Rings 2
Base Count 0 No. of Aliphatic Carbocycles Rings 1
Atoms Count 23 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 15 No. of Aromatic Carbocycles 2
nHetero 2 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 8 No. of Saturated Hetero Cycles 0
No. of Carbon atom 13 No. of Saturated Rings 0
No. of Nitrogen atom 2 No. of Arom Atom 12
No. of Oxygen atom 0 No. of Arom Bond 12
nHA 0 APOL 29.2443
nHD 0 BPOL 8.59566
Medicinal Chemistry Properties
QED 0.388
Synth 2.492
Natural Product Likeliness 0.289
NR-PPAR-gamma 0.356
Drug Likeliness
Lipinski Accepted
Pfizer Rejected
GSK Accepted
Golden Triangle Rejected
Absorption
Pgp-inh 0.002
Pgp-sub 0.001
HIA 0.004
CACO-2 -4.654
Distribution
MDCK 0.0000739
BBB 0.888
PPB 0.929289
VDSS 0.944
Metabolism
FU 0.0642567
CYP1A2-inh 0.678
CYP1A2-sub 0.887
CYP2c19-inh 0.295
CYP2c19-sub 0.927
CYP2c9-inh 0.409
CYP2c9-sub 0.73
CYP2d6-inh 0.577
CYP2d6-sub 0.057
CYP3a4-inh 0.447
CYP3a4-sub 0.917
Excretion
CL 0.532
T12 0.066
Toxicity
hERG 0.017
Ames 0.974
ROA 0.399
SkinSen 0.352
Carcinogencity 0.627
EI 0.987
Respiratory 0.954
NR-Aromatase 0.013
Antiviral Prediction
Antiviral Yes
Prediction 0.707277
OSADHI

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