MMsINC Database Search


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MMsINC code: MMs00919976

Type: Neutral
Formula: C₂₀H₂₀N₂O₅

SMILES:

o1nc(cc1-c1cc(OC)c(OC)cc1)C(=O)NCc1ccc(OC)cc1

InChI:

InChI=1/C20H20N2O5/c1-24-15-7-4-13(5-8-15)12-21-20(23)16-11-18(27-22-16)14-6-9-17(25-2)19(10-14)26-3/h4-11H,12H2,1-3H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.94 kcal/mol

Physical Properties
Molecular Weight: 368.389 g/mol	logS: -4.6445	SlogP: 3.5638	Reactive groups: 0

Topological Properties
Globularity: 0.0227233	Sterimol/B1: 2.71998	Sterimol/B2: 4.15021	Sterimol/B3: 4.70111
Sterimol/B4: 6.52156	Sterimol/L: 22.0596

Surface and Volume Properties
Accessible surface: 672.463	Positive charged surface: 465.151	Negative charged surface: 207.312	Volume: 347.125
Hydrophobic surface: 558.554	Hydrophilic surface: 113.909

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 5	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.