MMsINC Database Search


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MMsINC code: MMs01680742

Type: Neutral
Formula: C₂₀H₂₀N₂O₄

SMILES:

o1nc(-c2ccccc2)c(C(=O)NCCOc2ccccc2OC)c1C

InChI:

InChI=1/C20H20N2O4/c1-14-18(19(22-26-14)15-8-4-3-5-9-15)20(23)21-12-13-25-17-11-7-6-10-16(17)24-2/h3-11H,12-13H2,1-2H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.7776 kcal/mol

Physical Properties
Molecular Weight: 352.39 g/mol	logS: -4.78103	SlogP: 3.46742	Reactive groups: 0

Topological Properties
Globularity: 0.0739201	Sterimol/B1: 2.50716	Sterimol/B2: 3.67463	Sterimol/B3: 3.86145
Sterimol/B4: 9.17585	Sterimol/L: 16.741

Surface and Volume Properties
Accessible surface: 631.287	Positive charged surface: 380.588	Negative charged surface: 250.698	Volume: 338.5
Hydrophobic surface: 560.287	Hydrophilic surface: 71

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.