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

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Chemoinformaics analysis of Carbamult


Physiochemical Properties
Molecular Weight 207.273 nRot 2
Heavy Atom Molecular Weight 190.137 nRig 7
Exact Molecular Weight 207.126 nRing 1
Solubility: LogS -3.555 nHRing 0
Solubility: LogP 3.052 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 1
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 32 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 15 No. of Aromatic Carbocycles 1
nHetero 3 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 17 No. of Saturated Hetero Cycles 0
No. of Carbon atom 12 No. of Saturated Rings 0
No. of Nitrogen atom 1 No. of Arom Atom 6
No. of Oxygen atom 2 No. of Arom Bond 6
nHA 2 APOL 34.0795
nHD 1 BPOL 20.2285
Medicinal Chemistry Properties
QED 0.809
Synth 2.093
Natural Product Likeliness -0.372
NR-PPAR-gamma 0.004
Drug Likeliness
Lipinski Accepted
Pfizer Rejected
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.001
Pgp-sub 0.023
HIA 0.084
CACO-2 -4.484
Distribution
MDCK 0.0000332
BBB 0.989
PPB 0.889963
VDSS 0.745
Metabolism
FU 0.104827
CYP1A2-inh 0.927
CYP1A2-sub 0.871
CYP2c19-inh 0.701
CYP2c19-sub 0.872
CYP2c9-inh 0.423
CYP2c9-sub 0.574
CYP2d6-inh 0.439
CYP2d6-sub 0.773
CYP3a4-inh 0.293
CYP3a4-sub 0.308
Excretion
CL 9.5
T12 0.789
Toxicity
hERG 0.037
Ames 0.182
ROA 0.973
SkinSen 0.513
Carcinogencity 0.138
EI 0.401
Respiratory 0.817
NR-Aromatase 0.004
Antiviral Prediction
Antiviral No
Prediction 0.644296
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A database of all the medicinal plants having PAN India presence.
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